diff --git a/cif_core.dic b/cif_core.dic index 9ba4f65..8971fd0 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -2248,12 +2248,14 @@ save_diffrn_detector.description _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_radiation_detector' 1997-01-20 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.0.1.dic + 2.0.1 '_diffrn_detector' . - ? + ? ? '_diffrn_detector.detector' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -2302,12 +2304,14 @@ save_diffrn_detector.dtime _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_detector_dtime' . - ? + ? ? '_diffrn_radiation.detector_dtime' . - ? + ? ? '_diffrn_radiation_detector_dtime' 1997-01-20 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.0.1.dic + 2.0.1 _definition.update 2024-02-20 _description.text @@ -4042,14 +4046,16 @@ save_diffrn_refln.intensity_net_su _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_refln_intensity_u' . - ? + ? ? '_diffrn_refln_intensity_sigma' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_diffrn_refln.intensity_sigma' . - ? + ? ? '_diffrn_refln.intensity_u' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -4413,14 +4419,16 @@ save_diffrn_reflns.av_suneti_over_neti _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_reflns_av_sigmaI/netI' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_diffrn_reflns.av_unetI/netI' . - ? + ? ? '_diffrn_reflns_av_unetI/netI' . - ? + ? ? '_diffrn_reflns.av_sigmaI_over_netI' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -4859,16 +4867,18 @@ save_diffrn_reflns_class.av_sui_over_i _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_reflns_class_av_uI_over_I' . - ? + ? ? '_diffrn_reflns_class.av_uI/I' . - ? + ? ? '_diffrn_reflns_class_av_uI/I' . - ? + ? ? '_diffrn_reflns_class.av_sgI/I' . - ? + ? ? '_diffrn_reflns_class_av_sgI/I' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 _definition.update 2024-02-20 _description.text @@ -5346,12 +5356,14 @@ save_diffrn_source.description _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_source' . - ? + ? ? '_diffrn_radiation_source' 1997-01-20 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.0.1.dic + 2.0.1 '_diffrn_source.source' . - ? + ? ? _definition.update 2024-02-14 _description.text @@ -5719,14 +5731,16 @@ save_diffrn_standards.scale_su_average _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_diffrn_standards_scale_sigma' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_diffrn_standards.scale_sigma' . - ? + ? ? '_diffrn_standards.scale_u' . - ? + ? ? '_diffrn_standards_scale_u' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -6588,14 +6602,16 @@ save_refln.include_status _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refln_include_status' . - ? + ? ? '_refln_observed_status' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_refln.observed_status' . - ? + ? ? '_refln.status' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -7353,12 +7369,14 @@ save_reflns.number_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_number_gt' . - ? + ? ? '_reflns_number_observed' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns.number_obs' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -7442,12 +7460,14 @@ save_reflns.threshold_expression _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_threshold_expression' . - ? + ? ? '_reflns_observed_criterion' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns.observed_criterion' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8023,14 +8043,16 @@ save_reflns_shell.meani_over_sui_all _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_meanI_over_uI_all' . - ? + ? ? '_reflns_shell_meanI_over_sigI_all' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.meanI_over_sigI_all' . - ? + ? ? '_reflns_shell.meanI_over_uI_all' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8057,18 +8079,21 @@ save_reflns_shell.meani_over_sui_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_meanI_over_sigI_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.meanI_over_sigI_obs' . - ? + ? ? '_reflns_shell.meanI_over_sigI_gt' . https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell_meanI_over_sigI_gt' 1999-03-24 - ? + ? ? '_reflns_shell.meanI_over_uI_gt' . - ? + ? ? '_reflns_shell_meanI_over_uI_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8116,12 +8141,14 @@ save_reflns_shell.number_measured_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_number_measured_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.number_measured_obs' . - ? + ? ? '_reflns_shell_number_measured_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8193,12 +8220,14 @@ save_reflns_shell.number_unique_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_number_unique_gt' . - ? + ? ? '_reflns_shell_number_unique_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.number_unique_obs' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8245,12 +8274,14 @@ save_reflns_shell.percent_possible_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_percent_possible_gt' . - ? + ? ? '_reflns_shell_percent_possible_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.percent_possible_obs' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8308,12 +8339,14 @@ save_reflns_shell.rmerge_f_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_Rmerge_F_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.Rmerge_F_obs' . - ? + ? ? '_reflns_shell_Rmerge_F_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -8372,12 +8405,14 @@ save_reflns_shell.rmerge_i_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_reflns_shell_Rmerge_I_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_reflns_shell.Rmerge_I_obs' . - ? + ? ? '_reflns_shell_Rmerge_I_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -11400,12 +11435,14 @@ save_space_group.it_number _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_space_group_IT_number' . - ? + ? ? '_symmetry.Int_Tables_number' . - ? + ? ? '_symmetry_Int_Tables_number' 2003-10-04 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + 2.3 _definition.update 2024-02-20 _description.text @@ -11561,10 +11598,12 @@ save_space_group.name_h-m_full _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_symmetry.space_group_name_H-M' . - ? + ? ? '_symmetry_space_group_name_H-M' 2003-10-04 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + 2.3 _definition.update 2024-02-14 _description.text @@ -11663,12 +11702,14 @@ save_space_group.name_hall _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_space_group_name_Hall' . - ? + ? ? '_symmetry_space_group_name_Hall' 2003-10-04 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + 2.3 '_symmetry.space_group_name_Hall' . - ? + ? ? _definition.update 2023-02-13 _description.text @@ -11822,6 +11863,7 @@ save_symmetry.cell_setting _alias.deprecation_date 2003-10-04 _alias.dictionary_uri https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + _alias.dictionary_version 2.3 _definition.update 2024-02-14 _description.text ; @@ -11959,12 +12001,14 @@ save_space_group_symop.id _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_space_group_symop_id' . - ? + ? ? '_symmetry_equiv.pos_site_id' . - ? + ? ? '_symmetry_equiv_pos_site_id' 2003-10-04 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + 2.3 _definition.update 2024-02-14 _description.text @@ -12018,12 +12062,14 @@ save_space_group_symop.operation_xyz _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_space_group_symop_operation_xyz' . - ? + ? ? '_symmetry_equiv.pos_as_xyz' . - ? + ? ? '_symmetry_equiv_pos_as_xyz' 2003-10-04 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.3.dic + 2.3 _definition.update 2024-02-14 _description.text @@ -20776,12 +20822,14 @@ save_atom_site.adp_type _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_atom_site_ADP_type' . - ? + ? ? '_atom_site_thermal_displace_type' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_atom_site.thermal_displace_type' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -21763,12 +21811,14 @@ save_atom_site.site_symmetry_multiplicity _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_atom_site_site_symmetry_multiplicity' . - ? + ? ? '_atom_site_symmetry_multiplicity' 2014-05-20 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.4.4.dic + 2.4.4 '_atom_site.symmetry_multiplicity' . - ? + ? ? _definition.update 2024-02-14 _description.text @@ -26397,14 +26447,16 @@ save_refine_ls.goodness_of_fit_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_goodness_of_fit_gt' . - ? + ? ? '_refine_ls_goodness_of_fit_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_refine.ls_goodness_of_fit_obs' . - ? + ? ? '_refine.ls_goodness_of_fit_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -26849,14 +26901,16 @@ save_refine_ls.r_factor_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_R_factor_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_refine_ls_R_factor_gt' . - ? + ? ? '_refine.ls_R_factor_obs' . - ? + ? ? '_refine.ls_R_factor_gt' . - ? + ? ? _definition.update 2024-02-14 _description.text @@ -27037,12 +27091,14 @@ save_refine_ls.restrained_s_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_restrained_S_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_refine_ls_restrained_S_gt' . - ? + ? ? '_refine.ls_restrained_S_obs' . - ? + ? ? _definition.update 2024-02-14 _description.text @@ -27113,16 +27169,18 @@ save_refine_ls.shift_over_su_max _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_shift_over_su_max' . - ? + ? ? '_refine.ls_shift_over_esd_max' . - ? + ? ? '_refine.ls_shift_over_su_max' . - ? + ? ? '_refine_ls_shift/su_max' . - ? + ? ? '_refine_ls_shift/esd_max' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 _definition.update 2024-02-20 _description.text @@ -27178,16 +27236,18 @@ save_refine_ls.shift_over_su_mean _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_shift_over_su_mean' . - ? + ? ? '_refine.ls_shift_over_esd_mean' . - ? + ? ? '_refine.ls_shift_over_su_mean' . - ? + ? ? '_refine_ls_shift/su_mean' . - ? + ? ? '_refine_ls_shift/esd_mean' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 _definition.update 2024-02-20 _description.text @@ -27372,12 +27432,14 @@ save_refine_ls.wr_factor_gt _alias.definition_id _alias.deprecation_date _alias.dictionary_uri + _alias.dictionary_version '_refine_ls_wR_factor_obs' 1999-03-24 https://www.iucr.org/__data/iucr/cif/dictionaries/cif_core_2.1.dic + 2.1 '_refine.ls_wR_factor_obs' . - ? + ? ? '_refine_ls_wR_factor_gt' . - ? + ? ? _definition.update 2024-02-20 _description.text @@ -28146,4 +28208,7 @@ save_ _publ_contact_author.name and _publ_contact_author.address data items. Added dictionary URIs for deprecated data names. + + Added dictionary URIs and dictionary version numbers for deprecated + data names. ;