scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '                              ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '     'hydrogen atoms are gener...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '    H atoms were placed at sta...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '  Geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '  H atoms were placed at stand...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '  The H-atoms of the aromatic ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '  difmap and geom ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '  idealized with riding models...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' 'O-H located on difference Fo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' 'geom for ligand and dioxane;...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' .' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' >From a difference Fourier ma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' ?               ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' ?' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' C-H on ligand and 1,4-dioxane...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' C-H placed geometrically, N-H...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' DIFMAP &amp; GEOM (H atoms of SiM...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' Difference Fourier map ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' Difference Fourier map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' Difference-Fourier map ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' Geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' H atoms were placed at standa...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' Hydrogen atoms on CH3 and CH2...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' N-H and O-H from delta-F;  me...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' all carbon bonded H-atoms wer...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' aromatic Hs placed geometrica...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' aromatic hydrogens geometrica...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' delta-F for MeCN, others geom...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' difmap and geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' found from delta F, methyl hy...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geom and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geom constr except for those ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geom, except H2 and H2' difma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geom, except Me protons from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geometrically calculated; del...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geometrically placed, DEF H's...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' geometrically placed, except ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' hydrogen atoms are generated ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (5 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' idealized with riding models ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' located on a difference Fouri...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' none ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' only hydrogen atoms on the no...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' placed geometrically for C-H,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' placed geometrically, except ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' position calculated ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ' those on O1s, C1S and C2S geo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value ',' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '-' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '-CH2- placed geometrically, -C...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '..' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '.omitted'' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '20 geom and 2 difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value '3 geom and 9 difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'All H geom except water hydrog...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'BH3 from delta-F, others place...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C-H and H121 placed geometrica...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C-H geom , N-H difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C-H geom, N-H difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C-H geom, O-H difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C-H placed geometrically, N-H ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'C22 methyl H atoms from differ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH constrained, NH from differ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geom, NH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geom, OH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geom., OH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed, H2O f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed, H2PO4...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed, HPO4 ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed, NH fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed, OH fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH geometrically placed; H2PO4...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH inferred from neighbouring ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH3 (acetonotrile solvent) fou...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH3 found in delta-F, CH2 plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CH3 in delta F, CH2 placed geo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'CONSTR' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Calculated geometric positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Calculated positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Constr' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'DeltaF synthesis for MeOH H, o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Difference Fourier Map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Difference Fourier map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Difference map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Difmap and Geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found for BH, rest calculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found from delta-F; OH geometr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found in difference map, but i...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found position' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Found' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier NH, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier and geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier difference syntheses' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier difference' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier maps and geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier synthesis' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Fourier-difference map ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'From 150K structure' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'From previously determined str...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except H12A&amp;B coords free...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except H1W&amp;H2W coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except NH and OH cords fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except NH coords refined ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except OH coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except OH coords refined ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geom except both NH coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometric (Full-weight only)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometric or located (Fourier ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometric positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometrically Placed ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometrically Placed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Geometrically calculated; exce...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'H atoms riding' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'H-atoms not included' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'H1 from diff. map, rest geom.' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'H3,H4,H3',H4' located from del...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'IGNORE' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'IGNORED' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Isostructural with Ru-Ru analo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me H atoms from delta-F; other...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me H from delta-F; others plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me Hs found in delta-F, -CH2- ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me Hs found in delta-F, water ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me and water Hs found in delta...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me on sp2 C from delta-F; othe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me-(sp2) from delta-F; others ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me-H from delta-F; others plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me-group from delta-F synthesi...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Me-groups from delta-F synthes...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'MeCN H atoms from delta-F; oth...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'MeCN and water hydrogens found...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'MeCN from delta-F; others plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Methyl H atoms from delta-F; o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Methyl and OH from delta-F; ot...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Methyl and water H atoms from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'N-H from delta-F; Me from delt...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'N-H from delta-F; others place...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'N/A' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'N1 methyl H atoms from delta-F...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'NH Fourier map, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'NH and OH from delta-F; others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'NONE' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'NOT INCLUDE' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'No' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'None' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Not refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'O-H from circular delta-F synt...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'O-H from delta-F; others geome...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'O-H from delta-F; others place...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH and CH3 from acetone found ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH and sp2-bound Me H atoms fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH from delta-F; others placed...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH from difference Fourier syn...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH from difference map; others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH(phenol)and H2O found by dif...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'OH-proton found from differenc...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Placed geometrically' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Positions calculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'REFMAP' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Refined from a previous data p...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Refined from previous data poi...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Riding model or placed from Fo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Riding model' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'See text' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'Solvent methyl H atoms from de...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'absorb' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all C-H geom and O-H atoms of ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all CH3 calcd, other H found &amp;...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all but H1 geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all in calculated positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all methyl calcd., others foun...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'all placed geometrically' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic H atoms geometrically...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic H geometrically place...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic H placed geometricall...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic Hs geometrically plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic hydr. geometrically p...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'aromatic placed geometrically,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at B and P from difmap, others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at B from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at B1 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at Ir from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N and B from difmap, others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N and O from difmap, others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N and of H~2~O from diff.-f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N from difmap,others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N from difmap. other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N's from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N1 and B1 from difmap, othe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N1 form difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N1 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N1, C3, and C4 from difmap,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N10 from difmap, others geo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N11 and water from difmap, ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N12 from difmap, others geo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N17 from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N1C from difmap, others geo...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N2 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N3 and O22 from difmap, oth...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N3 from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N3 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N3 from difmap. others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N4 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N5 from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N5 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N6 from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N6 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N7 and O22 from difmap, oth...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N8 and B9 from difmap, othe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N8 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N9 and water from difmap, o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at N9 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at O from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at O1 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at O3 and N from difmap, other...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at O301 from difmap, others ge...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at O4 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P and B from difmap, other ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P and B from difmap, others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P from difmap, other geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P1 and B1 from difmap, othe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at P1 from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at Zr from difmap, others geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at c3 and c4 from difmap, othe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at idealised positions, except...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at nitrogen and oxygen from di...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at water and N from difmap, ot...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'at water from difmap, others g...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calaculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calc + difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calc' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calc/difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calcd' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calculated (C-H); found from d...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calculated positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'calculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'conf' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'const' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'constr' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'constrained to idealised geome...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'constrained to idealised posit...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'constraint' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'ddifmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'dfimap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difamp' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diff map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diff&amp;geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diff. map for H1, geom. for th...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diffam &amp; geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference Fourier map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference Fourier method' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference Fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference Fourier; geometrica...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference fourier and geometr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference map and geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference map and geometrical' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference map or placed geome...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difference maps' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diffmap &amp; geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'diffmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmao' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap  and geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap &amp; geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (CH2), geom (Ph)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (N-H and O-H) and geom ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (N-H) and calc (C-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (N-H) and geom (C-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (N-H) and geom (others)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H and N-H) and geom ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (3 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (C-H and...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (C-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (C-H, N-...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (C-N and...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (N-H and...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (N-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (N-H, C-...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H) and geom (others)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (O-H, N-H) and geom (C-...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (water O-H) and geom (C...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap (water O-H) and geom (o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap + geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap +geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap and  geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap and calculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap and geom (H812,H813,H92...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap and geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except Me group, geomet...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except PART2 geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except THF geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except geom for disorde...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except methyl group H g...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap except solvate H atoms ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap for Me, geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap for cluster hydrogen' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap for cluster hydrogen,ge...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap geom noref' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap or geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap&amp;geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap+geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, except for H291, H292,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, except for methyl H's,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, except geom for Cp* hy...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, except methyl H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, geom H(6), H(12), H(14...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, geom for methyl and so...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap, geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap,geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap/geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmap; geom for nitromethane' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmapeom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmapm' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'difmep' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'dimap,geom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'electron difference map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'energy minimization' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'except OH' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'fdif' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'fixed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'fmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found by diffmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found from delta F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found from delta-F synthesis' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found from delta-F; solvent H ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found in difference Fourier ma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found in the difference Fourie...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found position and geometrical...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found position except phenyl a...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'found' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'fourier map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'from Frey et al' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'from neutron diffraction study' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geoemtrically or from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom   and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom  and  difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom  and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; NH from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; difmap (H2O)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; difmap (H2O), MeOH not ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; difmap (OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom &amp; dmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) &amp; difmap (O-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) + difmap (O-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) / difmap (N-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) and difmap (O-H and...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) difmap (O-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H) difmap (S-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (C-H), difmap (O-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (CH), Difmap (GaH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (CH), difmap (NH and OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (CH), difmap (NH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (CH), difmap (NH, OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (CH), difmap (OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (O-H) and calc (N-H)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (Ph), difmap (CH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (a) and diference Fourier...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom (a) and difmap (b)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom + difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom +difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom , C7 Me and N1 from difma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom - except H2 H3 H4 H5 H6 H...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom C17,C18,C19,C20,C21,C22' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom CH, N and OH from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and Fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and circular E-map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and circular fourier map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and d-fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difference Fourier ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difference map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap ' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap (O-H species)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap (OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap for H2O' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap for Me H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap for hydroxyl' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap for water' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and located' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom and some NH2 and H2O H-co...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom but difmap for Ga connect...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom but difmap for H1GA, H2GA' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom but not for o3w' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H(2) coords freely...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1 coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1&amp;2 coords freely...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1, H3A&amp;B coords f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H11A&amp;B coords free...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1A difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1A&amp;B coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H1N &amp; H2N coords f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2 &amp; H3 coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2 and H4 coords f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2 coord freely re...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2 coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2, H2A coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2A coords refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2A&amp;B coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2A,H4A,H5A&amp;B coor...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2O H coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2O located from d...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H2O-H coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H3 coords refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H3&amp;33 coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H4 coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H4A &amp; H4B coords f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H5 coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H7O difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except H9 coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except Ir bound hydrogens...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except N bound H difmap/n...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except N&amp;O-H coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except N-H atom freely re...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except NH &amp; OH coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except NH and OH coords f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except NH coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except NH freely refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except NH3 H coords freel...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except O bound H difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except O bound hydrogens ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except OH coords freely r...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except OH from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except THF-H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except amine Hs and H2O d...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except c5 and NH from dif...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except difmap for B-H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except h1 coords refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except some OH coords fre...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except water H atoms difm...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom except water bound hydrog...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom excpt H1A&amp;B,H3,H40A&amp;B,H42...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom for ArH, free xyz for oth...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom for CH and difmap for NH' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom for CH, free with restrai...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom for methylene and circula...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom if bonded to C, difmap if...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom if bound to C or N, difma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom if bound to C, difmap if ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom if bound to C,difmap if b...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom or Fourier' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom or difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom&amp;difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom'' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom+difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom,   except Me and H2O from...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom,  sp2 bound Me from difma...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, =CH2, =CH and Me from di...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Et2O H omitted' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, H at P2 difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, H of hydroxo ligands, di...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, H17 difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, H1w difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, H2O from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me &amp; HB from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me C3a from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me From Difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me and NH from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me from difamp' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, Me from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, NH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, O-H difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, OH NH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, OH and sp2 bound Me from...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, OH difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, OH from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, PH and Me from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, at N1 not located' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, but OH coords other than...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, diff map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, diff' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, difmap for H2O' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, difmap for bicyclo unit' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except Me from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except NH coords freely ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except NH coords refined...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except OH from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for B-H an...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for B-H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for M-H an...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for M-H' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for amide ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for borohy...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except difmap for hydrox...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except for hydrides' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, except non-disordered, n...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, hydroxy H atom difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, me from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, methyls and NH from diff...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom, sp2 bound Me and OH from...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom,difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom.' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap (H12)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap (H7N)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap (H7NA&amp;B)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap (OH)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap (on H2O)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/difmap(methyl)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom/refall' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; H1, H2 difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; Me from Difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; Me from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; difmap H(1), H(11), H(21...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; difmap H(11), H(21)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom; difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geom?' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geome' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrcally placed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric (NH visible in diff....' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric (d(Ga-H)=1.6Ang.)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric (not placed on H2O)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric and DFmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric and difference maps' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric, except H on morphol...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric, except water hydrog...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric, not placed on H2O' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric, not placed on part ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric/difference map (H2O)' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric/difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric; H's on O1W not plac...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric; NH and OH based on ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometric; disordered H not pl...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically and free' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically idealised' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically located' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed except H3...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed on ligand...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed+difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, C4 Me fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, DCM H om...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, H2O from...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, H2O not ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, H2O, MeC...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, Me 7M an...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, Me and N...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, Me and O...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, Me delta...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, Me from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, MeCN fro...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, MeOH del...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, NH from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, NH locat...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH &amp; Me ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH and M...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH and d...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH delta...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, OH, C4-p...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, except M...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, except O...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, except t...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, none for...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed, one pent...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed. MeOH not...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically placed; methyls ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometrically, at N from Diff....' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometriclly placed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geometry and difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geomk' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geomometrically placed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geomt' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'geomtr' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'goem except H2B&amp;C coords refin...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'hydride H atoms from difmap ot...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'hydrogen atoms are generated b...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (5 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'hydrogen atoms found in map' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'hydrogens of H2O molecules loc...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'ignored' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'included in calculated positio...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'initially placed geometrically' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'initially placed in calculated...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'introduced at calculated posit...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'introduced at calculated posti...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'lattice energy minimization' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'locate' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located and geometrically fixe...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located from delta-F syntheses' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located from delta-F' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located from difmap' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located on a difference Fourie...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'located' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'location' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methanol H atoms from delta-F,...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H atoms from circular d...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H atoms from delta-F, o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H atoms from delta-F; o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H atoms from difference...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H atoms placed geometri...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H found from delta F; o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'methyl H found from delta-F; o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'mexed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'mi' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'mixed geom and diff maps' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'mixid' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'most seen in difference maps' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'n' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'n/a' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'na' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'no H atoms' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'no H-Atom' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'no H-Atoms' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'no hydrogen atoms in the molec...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'no' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'nodef' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'nome' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'none' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'nono' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'noref' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'not added' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'not found' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'not included' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'not located' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'notdef' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'notder' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'observed' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'omitted' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'one' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'partly difmap and partly calcu...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed at calculated positions' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically except NH...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically, Me from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically, MeOH fro...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically, except H...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically, except N...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically, except f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically. MeOH hyd...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically; except f...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (2 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed geometrically; solvent ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'placed in geometrically calcul...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'positions calculated' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'primary' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'rafall' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'ref U' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'refU' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'refall' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'refined' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'ride' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'riding model' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'riding' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'rigid' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'see text' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'solvent methyl H atoms from de...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'sp2 Me groups from delta-F; ot...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'sp2 methyl H atoms from delta-...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'sp2-bound Me H atoms from delt...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'sp2-bound methyl H atoms from ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (3 times).
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'sp2-bound methyl group from de...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'those on MeCN and H2O found fr...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'those on methyl found from del...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'those on methyls bonded to In ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'those on water molecule, found...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'undef' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water H atoms from \DF, others...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water H atoms from delta-F; ot...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water H atoms not located; oth...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water Hs located from difmap, ...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water and Me H from delta-F; o...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water and thymine H atoms from...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'water hydrogens from differenc...' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: WARNING, data item '_atom_sites_solution_hydrogens' value 'without restraint' must be one of the enumeration values ['difmap', 'vecmap', 'heavy', 'direct', 'geom', 'disper', 'isomor', 'mixed', 'notdet', 'dual', 'iterative', 'other'] according to the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Mixed' was changed to 'mixed' in accordance with the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difference Fourier map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' Difference Fourier map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' Difference Fourier map ' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' Difference-Fourier map ' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Difference Fourier map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Difference Fourier Map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difference map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Difference map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difference maps' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'diff&amp;geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'diffmap' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'diff map' was changed to 'difmap'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'diffmap &amp; geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value '  difmap and geom ' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' difmap and geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap  and geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap and geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap and  geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap &amp; geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap +geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap + geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap,geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap, geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap/geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap&amp;geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'difmap+geom' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' geom and difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom   and difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom  and difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom  and  difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom and difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom and difmap ' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom, diff' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom &amp; difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom +difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom + difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom,difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom, difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom/difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom&amp;difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geom+difmap' was changed to 'mixed'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geometric' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Geometric' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value ' Geometric' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value '  Geometric' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geometrically' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'geometrically placed' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Geometrically Placed' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Geometrically Placed ' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Geometric positions' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'placed geometrically' was changed to 'geom'.
scripts/cif_fix_values: tests/cases/cif_fix_values_118.inp data_solution_hydrogens: NOTE, data item '_atom_sites_solution_hydrogens' value 'Placed geometrically' was changed to 'geom'.
data_solution_hydrogens
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_hydrogens' value 'Mixed' was changed
to 'mixed' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

data item '_atom_sites_solution_hydrogens' value 'difference Fourier
map' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value ' Difference Fourier
map' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value ' Difference Fourier
map ' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value ' Difference-Fourier
map ' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'Difference Fourier
map' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'Difference Fourier
Map' was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'difference map' was
changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'Difference map' was
changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'difference maps'
was changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'diff&geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'diffmap' was
changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'diff map' was
changed to 'difmap'.

data item '_atom_sites_solution_hydrogens' value 'diffmap & geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value ' difmap and geom '
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value ' difmap and geom'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap and geom'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap and geom'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap and geom'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap & geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap +geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap + geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap,geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap, geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap/geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap&geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'difmap+geom' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value ' geom and difmap'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom and difmap'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom and difmap'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom and difmap'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom and difmap'
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom and difmap '
was changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom, diff' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom & difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom +difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom + difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom,difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom, difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom/difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom&difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geom+difmap' was
changed to 'mixed'.

data item '_atom_sites_solution_hydrogens' value 'geometric' was
changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'Geometric' was
changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value ' Geometric' was
changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value ' Geometric' was
changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'geometrically' was
changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'geometrically
placed' was changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'Geometrically
Placed' was changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'Geometrically
Placed ' was changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'Geometric
positions' was changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'placed
geometrically' was changed to 'geom'.

data item '_atom_sites_solution_hydrogens' value 'Placed
geometrically' was changed to 'geom'.

Automatic conversion script
Id: <script_name> <revision_nr> <date> <time> <author> 
;
loop_
_atom_sites_solution_hydrogens
;
;
' '
' ?'
' ?               '
' .'
-
,
?
.
..
...
'20 geom and 2 difmap'
'3 geom and 9 difmap'
absorb
'all but H1 geom'
' all carbon bonded H-atoms were placed at calculated positions, and the hydroxyl H-atom on the two non-disorder methanol molecules were located from a difference-Fourier map. No H-atoms were calculated for the disordered methanol molecule.'
'all CH3 calcd, other H found & fixed, CH refined'
'all C-H geom and O-H atoms of coordinated water molecules from difmap'
'All H geom except water hydrogens H1, H2'
'all in calculated positions'
'all methyl calcd., others found & fixed'
'all placed geometrically'
'aromatic H atoms geometrically placed; water H atoms located from \DF'
'aromatic H geometrically placed, water H located from delta-F'
'aromatic H placed geometrically, others from delta F synthesis'
'aromatic Hs geometrically placed, CH3 and OH from delta-F'
'aromatic Hs geometrically placed; Hs from H2O mol. located from q-peak list'
' aromatic Hs placed geometrically; water Hs from q-peaks list; dmso Hs from delta F synthesis'
'aromatic hydr. geometrically placed; hydr. from H2O mol. from q-peak list'
' aromatic hydrogens geometrically placed, water hydrogens located from delta-F synthesis'
'aromatic placed geometrically, others from delta-F synthesis'
'at B1 from difmap, others geom'
'at B and P from difmap, others geom'
'at B from difmap, others geom'
'at c3 and c4 from difmap, others geom'
'at idealised positions, except for O-H'
'at Ir from difmap, others geom'
'at N10 from difmap, others geom'
'at N11 and water from difmap, others geom'
'at N12 from difmap, others geom'
'at N17 from difmap, other geom'
'at N1 and B1 from difmap, others geom'
'at N1, C3, and C4 from difmap, others geom'
'at N1C from difmap, others geom'
'at N1 form difmap, others geom'
'at N1 from difmap, others geom'
'at N2 from difmap, others geom'
'at N3 and O22 from difmap, other geom'
'at N3 from difmap, other geom'
'at N3 from difmap, others geom'
'at N3 from difmap. others geom'
'at N4 from difmap, others geom'
'at N5 from difmap, other geom'
'at N5 from difmap, others geom'
'at N6 from difmap, other geom'
'at N6 from difmap, others geom'
'at N7 and O22 from difmap, others geom'
'at N8 and B9 from difmap, others geom'
'at N8 from difmap, others geom'
'at N9 and water from difmap, others geom'
'at N9 from difmap, others geom'
'at N and B from difmap, others geom'
'at N and of H~2~O from diff.-fourier'
'at N and O from difmap, others geom'
'at N from difmap, other geom'
'at N from difmap. other geom'
'at N from difmap, others geom'
'at N from difmap,others geom'
'at nitrogen and oxygen from difmap, other geom'
'at N's from difmap, other geom'
'at O1 from difmap, others geom'
'at O301 from difmap, others geom'
'at O3 and N from difmap, other geom'
'at O4 from difmap, others geom'
'at O from difmap, others geom'
'at P1 and B1 from difmap, others geom'
'at P1 from difmap, others geom'
'at P and B from difmap, other geom'
'at P and B from difmap, others geom'
'at P from difmap, other geom'
'at P from difmap, others geom'
'at water and N from difmap, others geom'
'at water from difmap, others geom'
'at Zr from difmap, others geom'
'BH3 from delta-F, others placed geometrically'
'C22 methyl H atoms from difference Fourier; others placed geometrically'
calaculated
calc
calcd
'calc + difmap'
calc/difmap
calculated
'calculated (C-H); found from difference map (B-H)'
'Calculated geometric positions'
'calculated positions'
'Calculated positions'
'-CH2- placed geometrically, -CH3 located in delta-F'
'CH3 (acetonotrile solvent) found by difmap, other geometrically calculated'
'CH3 found in delta-F, CH2 placed geometrically, solvent Hs not found'
'CH3 in delta F, CH2 placed geometrically'
'C-H and H121 placed geometrically, other N-H located by deltaF'
'CH constrained, NH from difference map'
'CH geometrically placed, H2O from delta-F'
'CH geometrically placed; H2PO4 and H2O from delta-F'
'CH geometrically placed, H2PO4, NH and H2O from delta-F'
'CH geometrically placed, HPO4 from delta-F'
'CH geometrically placed, NH from delta-F'
'CH geometrically placed, OH from delta-F'
'C-H geom , N-H difmap'
'C-H geom, N-H difmap'
'CH geom, NH difmap'
'C-H geom, O-H difmap'
'CH geom, OH difmap'
'CH geom., OH difmap'
'CH inferred from neighbouring sites, NH located'
' C-H on ligand and 1,4-dioxane placed geometrically; H atoms on methanol found from difference Fourier synthesis'
' C-H placed geometrically, N-H and O-H located by deltaF'
'C-H placed geometrically, N-H and O-H located by deltaF'
conf
const
constr
Constr
CONSTR
'constrained to idealised geometry'
'constrained to idealised positions'
constraint
ddifmap
' delta-F for MeCN, others geometrically placed''
'DeltaF synthesis for MeOH H, others placed geometrically'
dfimap
difamp
'diffam & geom'
'difference Fourier'
'difference fourier and geometrically idealized positions'
'difference Fourier; geometrically placed'
difmap
difmap
difmap
difmap
difmap
difmap
'difference Fourier method'
difmap
difmap
'difference map and geometric'
'difference map and geometrical'
'difference map or placed geometrically'
difmap
mixed
difmap
difmap
'diff. map for H1, geom. for the rest'
mixed
difmao
difmap
'difmap and calculated'
mixed
mixed
mixed
mixed
mixed
'Difmap and Geometric'
'difmap and geom (H812,H813,H922,H923,H12,H13,H14)'
'difmap (CH2), geom (Ph)'
difmapeom
'difmap, except for H291, H292, H293 which were geom'
'difmap, except for methyl H's, which were calculated'
'difmap, except geom for Cp* hydrogen atoms'
'difmap except geom for disordered'
'difmap except Me group, geometric'
'difmap except methyl group H geom'
'difmap, except methyl H'
'difmap except PART2 geom'
'difmap except solvate H atoms geom'
'difmap except THF geom'
'difmap for cluster hydrogen'
'difmap for cluster hydrogen,geom for other'
'difmap for cluster hydrogen,geom for others'
'difmap for Me, geom'
'difmap geom'
mixed
mixed
mixed
mixed
mixed
mixed
mixed
mixed
'difmap, geom for methyl and solvent H'
'difmap; geom for nitromethane'
'difmap, geom H(6), H(12), H(14), H(15)'
' DIFMAP & GEOM (H atoms of SiMe3 were located by geom and rest were found  from difmap'
'difmap geom noref'
difmapm
'difmap (N-H) and calc (C-H)'
'difmap (N-H) and geom (C-H)'
'difmap (N-H) and geom (others)'
'difmap (N-H and O-H) and geom (C-H)'
'difmap (N-H and O-H) and geom (C-H, P-H)'
'difmap (O-H) and geom (C-H)'
'difmap (O-H) and geom (C-H and N-H)'
'difmap (O-H) and geom (C-H, N-H)'
'difmap (O-H) and geom (C-N and N-H)'
'difmap (O-H) and geom (N-H)'
'difmap (O-H) and geom (N-H and C-H)'
'difmap (O-H) and geom (N-H, C-H)'
'difmap (O-H) and geom (others)'
'difmap (O-H and N-H) and geom  (C-H)'
'difmap (O-H and N-H) and geom (C-H)'
'difmap (O-H and N-H) and geom (C-H and P-H)'
'difmap (O-H, N-H) and geom (C-H)'
'difmap (O-H, N-H) and geom (C-H, P-H)'
'difmap or geom'
'difmap (water O-H) and geom (C-H)'
'difmap (water O-H) and geom (others)'
difmep
dimap,geom
direct
'electron difference map'
'energy minimization'
'except OH'
fdif
fixed
fmap
Fmap
found
Found
'found by diffmap'
'Found for BH, rest calculated'
'found from delta F'
'Found from delta-F'
' found from delta F, methyl hydrogens placed using rigid rotor model'
'Found from delta-F; OH geometrically placed'
'found from delta-F; solvent H geometrically placed'
'found from delta-F synthesis'
'found in difference Fourier map'
'Found in difference map, but idealised'
'found in the difference Fourier map'
'Found position'
'found position and geometrically'
'found position except phenyl and methyl'
fourier
Fourier
'Fourier and geom'
'Fourier difference'
'Fourier-difference map '
'Fourier difference syntheses'
'fourier map'
'Fourier maps and geometric'
'Fourier NH, others geom'
'Fourier synthesis'
'From 150K structure'
' >From a difference Fourier map except hydrogen atoms of acetone group.  H's of acetone are not included in the calculations.'
'from Frey et al'
'from neutron diffraction study'
'From previously determined structure'
'geoemtrically or from delta-F'
geom
geom?
geom.
geom'
'geom (a) and diference Fourier map (b)'
'geom (a) and difmap (b)'
'geom and circular E-map'
'geom and circular fourier map'
'geom and d-fourier'
'geom and difference Fourier '
'geom and difference map'
mixed
mixed
mixed
mixed
mixed
mixed
'geom and difmap for H2O'
'geom and difmap for hydroxyl'
'geom and difmap for Me H'
'geom and difmap for water'
'geom and difmap (OH)'
'geom and difmap (O-H species)'
'geom and Fourier'
'geom and located'
'geom and some NH2 and H2O H-coords refined'
'geom, at N1 not located'
'geom but difmap for Ga connected H'
'geom but difmap for H1GA, H2GA'
'geom but not for o3w'
'geom, but OH coords other than H18 refined'
'geom C17,C18,C19,C20,C21,C22'
'geom , C7 Me and N1 from difmap, MeOH not located'
'geom, =CH2, =CH and Me from difmap'
'geom (C-H) and difmap (O-H and N-H)'
'geom (CH), Difmap (GaH)'
'geom (C-H) / difmap (N-H)'
'geom (CH), difmap (NH)'
'geom (CH), difmap (NH and OH)'
'geom (CH), difmap (NH, OH)'
'geom (C-H) & difmap (O-H)'
'geom (C-H) + difmap (O-H)'
'geom (C-H) difmap (O-H)'
'geom (C-H), difmap (O-H)'
'geom (CH), difmap (OH)'
'geom (C-H) difmap (S-H)'
'geom CH, N and OH from difmap'
' geom constr except for those bound to the disordered C atoms which were not included'
mixed
'geom, diff map'
'geom difmap'
mixed
mixed
mixed
mixed
mixed
'geom; difmap'
mixed
mixed
mixed
'geom, difmap for bicyclo unit'
'geom, difmap for H2O'
'geom; difmap H(11), H(21)'
'geom/difmap (H12)'
'geom; difmap H(1), H(11), H(21)'
'geom & difmap (H2O)'
'geom & difmap (H2O), MeOH not located'
'geom/difmap (H7N)'
'geom/difmap (H7NA&B)'
geom/difmap(methyl)
'geom & difmap (OH)'
'geom/difmap (OH)'
'geom/difmap (on H2O)'
'geom & dmap'
geome
'geom, Et2O H omitted'
'geometrcally placed'
geom
geom
geom
geom
geom
'geometrically and free'
'geometrically, at N from Diff.-Fourier'
' geometrically calculated; delta-F synthesis for OH/MeOH, one OH could not be located'
'Geometrically calculated; except delta-F synthesis for MeCN'
'geometrically idealised'
'geometrically located'
geom
geom
geom
'geometrically placed, C4 Me from delta-F'
'geometrically placed, DCM H omitted'
' geometrically placed, DEF H's omitted'
'geometrically placed+difmap'
'geometrically placed except H3N,H4N,H5N which were found in difference map'
'geometrically placed, except Me and OH of MeOH and Me H of bridging MeO'
'geometrically placed, except OH from del-F'
' geometrically placed, except OH from Fourier synthesis '
'geometrically placed, except those in disordered solvent not included'
'geometrically placed, H2O from delta-F, C3s omitted'
'geometrically placed, H2O, MeCN from delta-F'
'geometrically placed, H2O not located'
'geometrically placed, Me 7M and 8M from delta-F'
'geometrically placed, Me and NH from delta-F'
'geometrically placed, Me and OH from delta-F'
'geometrically placed, MeCN from delta-F'
'geometrically placed, Me delta-F'
'geometrically placed, Me from deltaF'
'geometrically placed, Me from delta-F'
'geometrically placed, MeOH delta-F'
'geometrically placed. MeOH not located'
'geometrically placed; methyls from diffmap'
'geometrically placed, NH from delta-F and then idealised'
'geometrically placed, NH located deltaF'
'geometrically placed, none for solvent'
'geometrically placed, OH and disordered Et2O omitted'
'geometrically placed, OH and Me from delta-F'
'geometrically placed, OH, C4-prime Me delta-F'
'geometrically placed, OH delta-F'
'geometrically placed, OH from deltaF'
'geometrically placed, OH from delta-F'
'geometrically placed, OH & Me from delta-F'
'geometrically placed, one pentane omitted'
'geometrically placed on ligand, H on water found from E-map'
'geometric and DFmap'
'geometric and difference maps'
'geometric and difmap'
'geometric (d(Ga-H)=1.6Ang.)'
'geometric/difference map (H2O)'
geometric/difmap
'geometric; disordered H not placed'
'geometric, except H on morpholine N placed on difmap'
'geometric, except water hydrogens'
'Geometric (Full-weight only)'
'geometric; H's on O1W not placed'
'geometriclly placed'
'geometric; NH and OH based on H-bonding'
'geometric (NH visible in diff. map)'
'geometric (not placed on H2O)'
'geometric, not placed on H2O'
'geometric, not placed on part weight water'
'Geometric or located (Fourier difference)'
geom
'geometry and difmap'
'geom except amine Hs and H2O difmap'
'Geom except both NH coords freely refined'
'geom except c5 and NH from difmap'
'geom, except difmap for amide hydrogens'
'geom except difmap for B-H'
'geom, except difmap for B-H'
'geom, except difmap for B-H and M-H'
'geom, except difmap for B-H and Ru-H'
'geom, except difmap for borohydrides'
'geom, except difmap for hydroxyl H'
'geom, except difmap for M-H'
'geom, except difmap for M-H and B-H'
'geom, except for hydrides'
'geom except H11A&B coords freely refined'
'Geom except H12A&B coords freely refined'
'geom except H1&2 coords freely refined'
'geom except H1A&B coords freely refined'
'geom except H1A difmap'
'geom except H1 coords freely refined'
'geom except h1 coords refined'
'geom except H1, H3A&B coords freely refined'
'geom except H1N & H2N coords freely refined'
'Geom except H1W&H2W coords freely refined'
'geom except H2A&B coords freely refined'
'geom except H2A coords refined'
'geom except H2A,H4A,H5A&B coords refined'
" geom, except H2 and H2' difmap"
'geom except H2 and H4 coords freely refined'
'geom except H2 coord freely refined'
'geom except H(2) coords freely refined'
'geom except H2 coords freely refined'
'geom except H2, H2A coords freely refined'
'geom except H2 & H3 coords freely refined'
'geom - except H2 H3 H4 H5 H6 H7 - from difmap'
'geom except H2O H coords freely refined'
'geom except H2O-H coords freely refined'
'geom except H2O located from difmap'
'geom except H3&33 coords freely refined'
'geom except H3 coords refined'
'geom except H4A & H4B coords freely refined'
'geom except H4 coords freely refined'
'geom except H5 coords freely refined'
'geom except H7O difmap'
'geom except H9 coords freely refined'
'geom except Ir bound hydrogens difmap'
'geom,   except Me and H2O from difmap'
'geom, except Me from difmap'
' geom, except Me protons from difmap'
'geom except N bound H difmap/noref'
'geom except NH3 H coords freely refined'
'geom except NH and OH coords freely refined'
'Geom except NH and OH cords freely refined'
'geom except N-H atom freely refined'
'geom except NH coords freely refined'
'geom, except NH coords freely refined'
'geom, except NH coords refined with restraints'
'Geom except NH coords refined with restraints'
'geom except NH freely refined'
'geom except NH & OH coords freely refined'
'geom except N&O-H coords freely refined'
'geom, except non-disordered, non-Cp H'
'geom except O bound H difmap'
'geom except O bound hydrogens difmap'
'geom except OH coords freely refined'
'Geom except OH coords freely refined'
'Geom except OH coords refined with restraints'
'geom except OH from delta-F'
'geom, except OH from delta-F'
'geom except some OH coords freely refined'
'geom except THF-H'
'geom except water bound hydrogens difmap'
'geom except water H atoms difmap'
'geom excpt H1A&B,H3,H40A&B,H42 coords refined'
'geom for ArH, free xyz for others'
'geom for CH and difmap for NH'
'geom for CH, free with restraints for OH'
' 'geom for ligand and dioxane; H on methanol found from difmap and refined with a riding model''
'geom for methylene and circular E-map for methyl group'
'geom, H17 difmap'
'geom; H1, H2 difmap'
'geom, H1w difmap'
'geom, H2O from difmap'
'geom, H at P2 difmap'
'geom, H of hydroxo ligands, difmap'
'geom, hydroxy H atom difmap'
'geom if bonded to C, difmap if bonded to O'
'geom if bound to C, difmap if bound to O'
'geom if bound to C,difmap if bound to O'
'geom if bound to C or N, difmap if bound to O'
geomk
'geom, Me and NH from difmap'
'geom, Me C3a from difmap'
'geom, Me from difamp'
'geom, me from difmap'
'geom, Me from difmap'
'geom; Me from difmap'
'geom; Me from Difmap'
'geom, Me From Difmap'
'geom, Me & HB from difmap'
'geom, methyls and NH from diffmap'
'geom, NH difmap'
'geom & NH from delta-F'
'geom (O-H) and calc (N-H)'
'geom, OH and sp2 bound Me from difmap'
'geom, O-H difmap'
'geom, OH difmap'
'geom, OH from difmap'
'geom, OH NH difmap'
'geomometrically placed'
'geom or difmap'
'geom or Fourier'
'geom, PH and Me from difmap'
'geom (Ph), difmap (CH)'
geom/refall
'geom, sp2 bound Me and OH from difmap'
'geom,  sp2 bound Me from difmap'
geomt
geomtr
'goem except H2B&C coords refined'
'H1 from diff. map, rest geom.'
"H3,H4,H3',H4' located from delta-F; others placed geometrically"
'H-atoms not included'
'H atoms riding'
'  H atoms were placed at standard calculated positions, except atom H(N4) and H(water) which were obtained from difference map.'
'    H atoms were placed at standard calculated positions, except atom H(N4) which was obtained from difference map.'
'  H atoms were placed at standard calculated positions, except atoms H(N4) and N(11) which were obtained from difference map.'
' H atoms were placed at standard calculated positions, except atoms H(N5) and H(N16), which were obtained from difference map.'
heavy
'hydride H atoms from difmap others calc.'
'hydrogen atoms are generated by HFIX'
'                                   hydrogen atoms are generated by HFIX                                   instructions'
'     'hydrogen atoms are generated by HFIX                                   instructions''
' hydrogen atoms are generated by HFIX instructions'
' hydrogen atoms are generated by HFIX instructions.'
'hydrogen atoms are generated by HFIX instructions'
'hydrogen atoms are generated by HFIX instructions''
'                                   hydrogen atoms are generated by HFIX                                   instructions or difmap'
' hydrogen atoms are generated by HFIX instructions or difmap'
" hydrogen atoms are generated by HFIX instructions' or difmap"
" hydrogen atoms are generated by HFIX instructions' or 'difmap'"
'hydrogen atoms are generated by HFIX instructions or difmap'
"hydrogen atoms are generated by HFIX instructions' or difmap"
'hydrogen atoms found in map'
' Hydrogen atoms on CH3 and CH2 group were placed geometrically, except that the H atoms of a disordered CH2 group were not added. Hydrogen atoms on coordinated water were found in a delta-F map, but apart from one fully-occupied solvent water molecule, whose H atoms  were found in a delta-F map, the H atoms of other solvent waters  and methanols could notbe found.'
'hydrogens of H2O molecules located from difmap, others geometrically placed'
'  idealized with riding models for C5Me5 groups and other hydrogen atoms were  located form Difference Fourier map and refined with bond lengthen constraint'
' idealized with riding models for C5Me5 groups and other hydrogen atoms were located form Difference Fourier map and refined with bond lengthen constraint'
IGNORE
ignored
IGNORED
'included in calculated positions; except for N-H (found in delta-F)'
'included in calculated positions, except for N-Me (found from delta-F)'
'initially placed geometrically'
'initially placed in calculated positions'
'introduced at calculated positions'
'introduced at calculated positions, except for amide H (not found)'
'introduced at calculated postions'
isomor
'Isostructural with Ru-Ru analogue'
'lattice energy minimization'
locate
located
'located and geometrically fixed'
'located from delta-F'
'located from delta-F syntheses'
'located from difmap'
' located on a difference Fourier map'
' located on a difference Fourier map '
'located on a difference Fourier map'
location
'Me and water Hs found in delta-F, others placed geometrically'
'MeCN and water hydrogens found from delta-F; others geometrically placed'
'MeCN from delta-F; others placed geometrically'
'MeCN H atoms from delta-F; others placed geometrically'
'Me-group from delta-F synthesis, others placed geometrically'
'Me-groups from delta-F synthesis, others placed geometrically'
'Me H atoms from delta-F; others placed geometrically'
'Me H from delta-F; others placed geometrically'
'Me-H from delta-F; others placed geometrically'
'Me Hs found in delta-F, -CH2- placed geometrically'
'Me Hs found in delta-F, water Hs not located, others placed geometrically'
'Me on sp2 C from delta-F; others placed geometrically'
'Me-(sp2) from delta-F; others placed geometrically'
'methanol H atoms from delta-F, others placed geometrically'
'Methyl and OH from delta-F; others placed geometrically'
'Methyl and water H atoms from delta-F; others placed geometrically'
'methyl H atoms from circular difference Fourier; others placed geometrically'
'methyl H atoms from delta-F, other placed geometrically'
'methyl H atoms from delta-F; others placed geometrically'
'Methyl H atoms from delta-F; others placed geometrically'
'methyl H atoms from difference Fourier; other placed geometrically'
'methyl H atoms placed geometrically'
'methyl H found from delta F; others geometrically placed'
'methyl H found from delta-F; others geometrically placed'
mexed
mi
mixed
mixed
'mixed geom and diff maps'
mixid
'most seen in difference maps'
n
'N1 methyl H atoms from delta-F; others placed geometrically'
na
n/a
N/A
' N-H and O-H from delta-F;  methyl H atoms from delta-F;  others placed geometrically'
'NH and OH from delta-F; others placed geometrically'
'NH Fourier map, others geom'
'N-H from delta-F; Me from delta-F; others placed geometrically'
'N-H from delta-F; others placed geometrically'
no
No
nodef
'no H-Atom'
'no H atoms'
'no H-Atoms'
'no hydrogen atoms in the molecule'
nome
none
' none '
None
NONE
nono
noref
'not added'
notdef
notder
notdet
'not found'
'NOT INCLUDE'
'not included'
'not located'
'Not refined'
observed
'OH and CH3 from acetone found from difmap, other geometrically placed'
'OH and sp2-bound Me H atoms from delta-F; others placed geometrically'
'OH difmap, others geom'
'O-H from circular delta-F synthesis, others placed geometrically'
'O-H from delta-F; others geometrically placed'
'O-H from delta-F; others placed geometrically'
'OH from delta-F; others placed geometrically'
'OH from difference Fourier synthesis, others placed geometrically'
'OH from difference map; others placed geometrically'
' 'O-H located on difference Fourier, all other H atoms in calculated positions.'
'OH(phenol)and H2O found by difmap, other geometrically calculated'
'OH-proton found from difference electron map, others placed geometrically'
omitted
.omitted'
one
' only hydrogen atoms on the non-disordered carbon atoms are added geometrically'
other
'partly difmap and partly calculated'
'placed at calculated positions'
geom
geom
' placed geometrically, except for H101, H105, H121, H201 and H221  located by deltaF'
'placed geometrically, except for H on N-atoms located by deltaF'
'placed geometrically; except for N-H and O-H located by deltaF'
'placed geometrically; except for O-H located by deltaF'
'placed geometrically, except H61 and H62 located from difference map'
'placed geometrically, except NH and OH located by deltaF'
'placed geometrically except NH which were refined with restraints'
' placed geometrically for C-H, H103, H321 and H403, except for the remaining N-H located by deltaF'
'placed geometrically, Me from difference Fourier method'
'placed geometrically, MeOH from delta-F'
'placed geometrically. MeOH hydrogens omitted '
'placed geometrically; solvent H atoms not located'
'placed in geometrically calculated positions'
' position calculated '
'positions calculated'
'Positions calculated'
primary
rafall
refall
refined
'Refined from a previous data point'
'Refined from previous data point'
REFMAP
refU
'ref U'
ride
riding
'riding model'
'Riding model'
'Riding model or placed from Fourier map'
rigid
'see text'
'See text'
'solvent methyl H atoms from delta-F; others placed geometrically'
'Solvent methyl H atoms from delta-F; others placed geometrically'
'sp2-bound Me H atoms from delta-F; others placed geometrically'
'sp2-bound methyl group from delta-F; others placed geometrically'
'sp2-bound methyl H atoms from delta-F; other CH geometrically placed'
'sp2-bound methyl H atoms from delta-F; others geometrically placed'
'sp2-bound methyl H atoms from delta-F; others placed geometrically'
'sp2 Me groups from delta-F; others placed geometrically'
'sp2 methyl H atoms from delta-F; others placed geometrically'
'  The H-atoms of the aromatic rings were localized in their calculated  positions, The other hydrogen atoms were found from the different Fourire  Map.'
'those on MeCN and H2O found from delta-F; others geometrically placed'
'those on methyl found from delta-F; others geometrically placed'
'those on methyls bonded to In found from delta-F; others geometrically placed'
' those on O1s, C1S and C2S geometrically placed; others found from delta F'
'those on water molecule, found from delta-F; others placed geometrically'
undef
'water and Me H from delta-F; others geometrically placed'
'water and thymine H atoms from delta-F; others placed geometrically'
'water H atoms from delta-F; others placed geometrically'
'water H atoms from \DF, others placed geometrically'
'water H atoms not located; others placed geometrically'
'water Hs located from difmap, others geometrically placed'
'water hydrogens from difference map, others placed geometrically'
'without restraint'
