scripts/cif_cod_check: tests/cases/cif_cod_check_079.inp data_4320780: NOTE, data item '_refine_ls_R_factor_obs' value '0.1092' is > 0.1.
scripts/cif_cod_check: tests/cases/cif_cod_check_079.inp data_4320780: WARNING, data item '_refine_ls_shift/esd_max' value '-0.007' should be in range [0.0, +inf).
scripts/cif_cod_check: tests/cases/cif_cod_check_079.inp: NOTE, 1 NOTE(s) encountered.
scripts/cif_cod_check: tests/cases/cif_cod_check_079.inp: NOTE, 1 WARNING(s) encountered.
