scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_site_refinement_flags' appears in the same data block as its replacement data items ['_atom_site_refinement_flags_posn', '_atom_site_refinement_flags_adp', '_atom_site_refinement_flags_occupancy'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_site_refinement_flags' has been replaced by the ['_atom_site_refinement_flags_posn', '_atom_site_refinement_flags_adp', '_atom_site_refinement_flags_occupancy'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_site_thermal_displace_type' appears in the same data block as its replacement data items ['_atom_site_adp_type'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_site_thermal_displace_type' has been replaced by the ['_atom_site_adp_type'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_11' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_12' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_13' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_21' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_22' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_23' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_31' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_32' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_matrix_33' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_vector_1' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_vector_2' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_tran_vector_3' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_Cartn_transform_axes' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_11' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_12' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_13' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_21' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_22' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_23' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_31' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_32' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_matrix_33' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_vector_1' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_vector_2' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_fract_tran_vector_3' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_solution_hydrogens' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_solution_primary' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_solution_secondary' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_atom_sites_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_block_code' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_contact_author_address' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_contact_author_email' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_contact_author_fax' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_contact_author_name' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_contact_author_phone' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_creation_date' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_creation_method' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_audit_update_record' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_angle_alpha' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_angle_beta' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_angle_gamma' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_formula_units_Z' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_length_a' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_length_b' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_length_c' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_pressure' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_radiation' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_reflns_used' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_temperature' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_theta_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_theta_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_measurement_wavelength' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_angle_alpha' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_angle_beta' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_angle_gamma' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_length_a' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_length_b' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_reciprocal_length_c' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_cell_volume' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_absolute_configuration' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_compound_source' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_enantioexcess_bulk' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_enantioexcess_bulk_technique' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_enantioexcess_crystal' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_enantioexcess_crystal_technique' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_analytical' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_iupac' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_moiety' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_structural' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_sum' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_weight' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_formula_weight_meas' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_melting_point' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_melting_point_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_melting_point_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_name_common' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_name_mineral' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_name_structure_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_name_systematic' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_optical_rotation' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_properties_biological' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_properties_physical' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_decomposition' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_decomposition_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_decomposition_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_sublimation' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_sublimation_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_chemical_temperature_sublimation_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_cell_refinement' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_data_collection' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_data_reduction' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_molecular_graphics' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_publication_material' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_structure_refinement' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_computing_structure_solution' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_CSD_history' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_CAS' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_CSD' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_ICSD' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_MDF' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_NBS' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_PDB' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_PDF' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_depnum_ccdc_archive' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_depnum_ccdc_fiz' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_code_depnum_ccdc_journal' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_journal_ASTM' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_database_journal_CSD' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_environment' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_pressure' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_pressure_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_pressure_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_temperature' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_temperature_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_ambient_temperature_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_crystal_treatment' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_detector' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_detector_area_resol_mean' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_detector_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_detector_dtime' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_detector_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measured_fraction_theta_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measured_fraction_theta_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_device' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_device_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_device_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_method' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_measurement_specimen_support' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_11' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_12' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_13' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_21' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_22' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_23' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_31' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_32' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_UB_33' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_orient_matrix_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_collimation' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector' appears in the same data block as its replacement data items ['_diffrn_detector'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector' has been replaced by the ['_diffrn_detector'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector_dtime' appears in the same data block as its replacement data items ['_diffrn_detector_dtime'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector_dtime' has been replaced by the ['_diffrn_detector_dtime'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_detector_dtime' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_filter_edge' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_inhomogeneity' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_monochromator' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_polarisn_norm' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_polarisn_ratio' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_probe' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_source' appears in the same data block as its replacement data items ['_diffrn_source'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_source' has been replaced by the ['_diffrn_source'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_source' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_radiation_xray_symbol' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_refln_intensity_sigma' appears in the same data block as its replacement data items ['_diffrn_refln_intensity_u'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_refln_intensity_sigma' has been replaced by the ['_diffrn_refln_intensity_u'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_Laue_measured_fraction_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_Laue_measured_fraction_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_av_R_equivalents' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_av_sigmaI/netI' appears in the same data block as its replacement data items ['_diffrn_reflns_av_unetI/netI'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_av_sigmaI/netI' has been replaced by the ['_diffrn_reflns_av_unetI/netI'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_av_sigmaI/netI' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_av_unetI/netI' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_class_av_sgI/I' appears in the same data block as its replacement data items ['_diffrn_reflns_class_av_uI/I'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_class_av_sgI/I' has been replaced by the ['_diffrn_reflns_class_av_uI/I'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_h_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_h_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_k_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_k_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_l_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_limit_l_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_point_group_measured_fraction_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_point_group_measured_fraction_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_reduction_process' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_resolution_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_resolution_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_theta_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_theta_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_theta_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_11' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_12' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_13' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_21' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_22' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_23' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_31' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_32' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_reflns_transf_matrix_33' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_current' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_power' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_size' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_take-off_angle' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_target' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_source_voltage' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_decay_%' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_interval_count' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_interval_time' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_scale_sigma' appears in the same data block as its replacement data items ['_diffrn_standards_scale_u'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_scale_sigma' has been replaced by the ['_diffrn_standards_scale_u'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_scale_sigma' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_standards_scale_u' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_diffrn_symmetry_description' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_absorpt_coefficient_mu' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_absorpt_correction_T_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_absorpt_correction_T_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_absorpt_correction_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_absorpt_process_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_crystal_recrystallization_method' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_crystals_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_transmission_factor_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_exptl_transmission_factor_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_geom_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coden_ASTM' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coden_Cambridge' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_address' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_code' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_email' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_fax' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_name' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_notes' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_coeditor_phone' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_data_validation_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_accepted' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_from_coeditor' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_printers_final' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_printers_first' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_proofs_in' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_proofs_out' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_recd_copyright' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_recd_electronic' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_recd_hard_copy' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_date_to_coeditor' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_index_subterm' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_index_term' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_index_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_issue' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_language' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_name_full' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_page_first' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_page_last' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_paper_category' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_suppl_publ_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_suppl_publ_pages' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_address' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_code' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_email' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_fax' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_name' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_notes' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_techeditor_phone' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_volume' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_journal_year' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_address' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_email' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_fax' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_id_iucr' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_name' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_author_phone' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_contact_letter' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_manuscript_creation' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_manuscript_processed' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_manuscript_text' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_requested_category' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_requested_coeditor_name' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_requested_journal' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_abstract' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_acknowledgements' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_comment' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_discussion' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_experimental' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_exptl_prep' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_exptl_refinement' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_exptl_solution' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_figure_captions' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_introduction' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_keywords' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_references' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_related_literature' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_synopsis' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_table_legends' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_title' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_publ_section_title_footnote' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_diff_density_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_diff_density_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_diff_density_rms' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_F_calc_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_F_calc_formula' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_F_calc_precision' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_Fsqd_factor' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_I_factor' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_factor_all' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_factor_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_factor_obs' appears in the same data block as its replacement data items ['_refine_ls_R_factor_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_factor_obs' has been replaced by the ['_refine_ls_R_factor_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_R_factor_obs' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_abs_structure_Flack' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_abs_structure_Rogers' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_abs_structure_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_d_res_high' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_d_res_low' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_extinction_coef' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_extinction_expression' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_extinction_method' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_all' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_obs' appears in the same data block as its replacement data items ['_refine_ls_goodness_of_fit_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_obs' has been replaced by the ['_refine_ls_goodness_of_fit_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_obs' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_goodness_of_fit_ref' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_hydrogen_treatment' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_matrix_type' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_number_constraints' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_number_parameters' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_number_reflns' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_number_restraints' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_restrained_S_all' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_restrained_S_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_restrained_S_obs' appears in the same data block as its replacement data items ['_refine_ls_restrained_S_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_restrained_S_obs' has been replaced by the ['_refine_ls_restrained_S_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_restrained_S_obs' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_max' appears in the same data block as its replacement data items ['_refine_ls_shift/su_max'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_max' has been replaced by the ['_refine_ls_shift/su_max'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_mean' appears in the same data block as its replacement data items ['_refine_ls_shift/su_mean'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_mean' has been replaced by the ['_refine_ls_shift/su_mean'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/esd_mean' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/su_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/su_max_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/su_mean' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_shift/su_mean_lt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_structure_factor_coef' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_all' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_obs' appears in the same data block as its replacement data items ['_refine_ls_wR_factor_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_obs' has been replaced by the ['_refine_ls_wR_factor_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_obs' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_wR_factor_ref' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_weighting_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_ls_weighting_scheme' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refine_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refln_observed_status' appears in the same data block as its replacement data items ['_refln_include_status'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_refln_observed_status' has been replaced by the ['_refln_include_status'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_Friedel_coverage' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_d_resolution_high' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_d_resolution_low' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_h_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_h_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_k_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_k_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_l_max' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_limit_l_min' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_number_gt' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_number_observed' appears in the same data block as its replacement data items ['_reflns_number_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_number_observed' has been replaced by the ['_reflns_number_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_number_observed' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_number_total' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_observed_criterion' appears in the same data block as its replacement data items ['_reflns_threshold_expression'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_observed_criterion' has been replaced by the ['_reflns_threshold_expression'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_observed_criterion' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_Rmerge_F_obs' appears in the same data block as its replacement data items ['_reflns_shell_Rmerge_F_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_Rmerge_F_obs' has been replaced by the ['_reflns_shell_Rmerge_F_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_Rmerge_I_obs' appears in the same data block as its replacement data items ['_reflns_shell_Rmerge_I_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_Rmerge_I_obs' has been replaced by the ['_reflns_shell_Rmerge_I_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_all' appears in the same data block as its replacement data items ['_reflns_shell_meanI_over_uI_all'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_all' has been replaced by the ['_reflns_shell_meanI_over_uI_all'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_gt' appears in the same data block as its replacement data items ['_reflns_shell_meanI_over_uI_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_gt' has been replaced by the ['_reflns_shell_meanI_over_uI_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_obs' appears in the same data block as its replacement data items ['_reflns_shell_meanI_over_sigI_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_meanI_over_sigI_obs' has been replaced by the ['_reflns_shell_meanI_over_sigI_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_number_measured_obs' appears in the same data block as its replacement data items ['_reflns_shell_number_measured_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_number_measured_obs' has been replaced by the ['_reflns_shell_number_measured_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_number_unique_obs' appears in the same data block as its replacement data items ['_reflns_shell_number_unique_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_number_unique_obs' has been replaced by the ['_reflns_shell_number_unique_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_percent_possible_obs' appears in the same data block as its replacement data items ['_reflns_shell_percent_possible_gt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_shell_percent_possible_obs' has been replaced by the ['_reflns_shell_percent_possible_gt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_special_details' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_reflns_threshold_expression' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_Int_Tables_number' appears in the same data block as its replacement data items ['_space_group_IT_number'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_Int_Tables_number' has been replaced by the ['_space_group_IT_number'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_Int_Tables_number' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_cell_setting' appears in the same data block as its replacement data items ['_space_group_crystal_system'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_cell_setting' has been replaced by the ['_space_group_crystal_system'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_cell_setting' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_equiv_pos_as_xyz' appears in the same data block as its replacement data items ['_space_group_symop_operation_xyz'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_equiv_pos_as_xyz' has been replaced by the ['_space_group_symop_operation_xyz'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_equiv_pos_site_id' appears in the same data block as its replacement data items ['_space_group_symop_id'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_equiv_pos_site_id' has been replaced by the ['_space_group_symop_id'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_H-M' appears in the same data block as its replacement data items ['_space_group_name_H-M_alt'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_H-M' has been replaced by the ['_space_group_name_H-M_alt'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_H-M' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_Hall' appears in the same data block as its replacement data items ['_space_group_name_Hall'].
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_Hall' has been replaced by the ['_space_group_name_Hall'] data items.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, data item '_symmetry_space_group_name_Hall' must not appear in a loop.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_atom_site_site_symmetry_multiplicity' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_atom_site_site_symmetry_order' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_chemical_identifier_inchi' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_chemical_identifier_inchi_key' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_chemical_identifier_inchi_version' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_database_code_COD' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_diffrn_radiation_wavelength_details' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_diffrn_radiation_wavelength_determination' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_journal_paper_doi' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_reflns_Friedel_fraction_full' data item was not found in the provided dictionaries.
scripts/cif_validate: tests/cases/cif_validate_005.inp data_testAllTagNames: NOTE, definition of the '_reflns_Friedel_fraction_max' data item was not found in the provided dictionaries.
