diff --git a/Detailed_changelog.cif b/Detailed_changelog.cif new file mode 100644 index 0000000..8e0c9ee --- /dev/null +++ b/Detailed_changelog.cif @@ -0,0 +1,180 @@ +#\#CIF_2.0 +# This file contains the full changelogs from the DICTIONARY_AUDIT category loop +# at the end of the cif_core.dic file. Released cif_core.dic files include +# a summarised form of these changes. This file is intended purely for developer +# information and is not guaranteed to be parseable. +data_changelog + +loop_ +_dictionary_audit.version +_dictionary_audit.date +_dictionary_audit.revision + +3.0.14 2021-06-29 +; + Added opaque author identifiers to audit_author and publ_author as well + as relevant linking identifiers to audit_contact_author and + publ_contact_author. Added diffrn_measurement.specimen_attachment_type. + + Added the 'none' measurement units to the definitions of multiple + data items. + + Added methods for determining the measurement units to the definitions + of the _refine_diff.density_min_su, _refine_diff.density_max_su and + _refine_diff.density_rms_su data items. + + Corrected a few typos in several save frame definitions. + + Corrected the definitions of the ATOM_SITES_CARTN_TRANSFORM category + and the _atom_sites_fract_transform.matrix data item. + + Changed the DDL conformance version number from 3.0.14 to 4.0.1. + + Removed all instances of the _category.key_id attribute since it is no + longer defined in the DDLm reference dictionary. +; + 3.1.0 2021-12-01 +; + Replaced _model_site.adp_eigen_system with _model_site.adp_eigenvectors + and _model_site.adp_eigenvalues. + + Added additional enumeration values to the _journal_index.type data item + definition. + + Added measurement units to the definitions of multiple data items. + + Removed the _type.dimension attribute from the definition of + the _refln.form_factor_table data item since it is not applicable + to the "Table" content type. + + Changed the imported save frame in the definitions of + the _atom_sites_cartn_transform.vec_* data items from + 'Cartn_matrix' to 'Cartn_vector'. + + Changed the imported save frame in the definitions of + the _atom_sites_fract_transform.vec_* data items from + 'fract_matrix' to 'fract_vector'. + + Changed the units of measurement in the definition of + the _atom_sites_fract_transform.matrix data item from + 'none' to 'reciprocal_angstroms'. + + Changed the units of measurement in the definition of + the _diffrn_radiation_wavelength.value_su data item from + 'none' to 'angstroms'. + + Updated the description of the _diffrn_source.make and + _exptl_absorpt.correction_t_min data items. + + Unified the spelling of certain words. + + Added an enumeration range to the definition of + the _space_group_Wyckoff.multiplicity data item. + + Fixed text description of _atom_site.U,B_iso_or_equiv. + + Added multiple standard uncertainty (SU) data items. + + Restricted the _atom_site.Wyckoff_symbol data item values + to a set of case-sensitive enumeration values. + + Updated the capitalisation of multiple data items. + + Updated the AUDIT_SUPPORT category example case. + + Fixed the _exptl_crystal.colour data item example case. + + Changed the content type of the _space_group.name_H-M_ref + data item from 'Code' to 'Text' and updated the description + to better reflect the formatting of the given enumeration values. + + Changed legacy case-sensitive data names to 'Word' type for conformance + with DDL1. + + Changed _gt/_lt data names to 'Number' type in accordance with DDL1 + behaviour. Removed associated SU data names. + + Homogenised the definitions of _citation.year, _journal.year, + _citation.journal_issue, and _journal.issue data items. + + Added an upper enumeration limit of 192 to the definition of + the _space_group_symop.id data item. + + Changed the content type of the _journal.paper_doi data item from + 'Code' to 'Text' and added an example case. +; + 3.2.0 2023-04-04 +; + Added data names to allow multi-data-block expression of data sets. + + Deprecated and replaced _diffrn_radiation.type and + _diffrn_radiation.xray_symbol. + + Added _diffrn_refln.intensity* data items. + + Added the _exptl_absorpt.special_details data item. + + Added categories and data names to allow for the elemental composition + of specimens to be recorded. + + Changed the content type of the _diffrn_reflns.limit_min and + _diffrn_reflns.limit_max data items from Real to Integer. + + Updated _audit_author.name, _audit_contact_author.name, + _citation_author.name, and _publ_author.name to specify how authors with + single names should be handled. + + Renamed DIFFRN_STANDARD to DIFFRN_STANDARDS, as well as all data names, + to retain consistency with the DDL1 dictionary. + + Fixed dREL names of _audit_support.funding_organization and + _audit_support.funding_organization_DOI. + + Corrected the dREL methods responsible for the assignment of units of + measurement to the _refine_diff.density_min, _refine_diff.density_min_su, + _refine_diff.density_max, _refine_diff.density_max_su, + _refine_diff.density_rms and _refine_diff.density_rms_su data items. + + Explicitly added _diffrn_source.details to the list items that replaced + _diffrn_source.description. + + Added a disclaimer about the use of the _atom_site_symmetry_multiplicity + data name. + + Changed the _exptl_crystal.colour data item from a list to a text string + to restore compatibility with the DDL1 version of the dictionary. + + Updated the descriptions of the _atom_site.disorder_assembly and + _atom_site.disorder_group data items to also apply to compositional + disorder. + + Added the _citation.URL and _journal.paper_URL data items. + + Changed the content type of multiple id data items. + + Updated URL of the Open Funder Registry repository. + + Updated the references in definitions of the _chemical.enantioexcess_bulk + and _chemical.enantioexcess_crystal data items. + + Changed the scheme part in multiple URLs from 'http' to 'https'. + + Added the _journal.paper_number and _journal.paper_pages data items. + + Added the 'Other' state to the enumeration set of the + _database_related.relation data item. Added a usage example to + the DATABASE_RELATED category. + + Added several examples to the ATOM_SITE category. + + Updated several definitions with enumeration values to be case-sensitive. + + Removed the _citation_author.key and _citation_editor.id data items. + + Reparented CELL to DIFFRN category and added key data names to allow + multiple cells for different diffraction conditions. Deprecated + _cell_measurement.temperature,pressure data names. + + Changed the purpose of the _diffrn_radiation_wavelength.id data item + from 'Encode' to 'Key'. +; diff --git a/cif_core.dic b/cif_core.dic index c2f4649..503291c 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -27088,26 +27088,18 @@ save_ ; 3.0.14 2021-06-29 ; - Added opaque author identifiers to audit_author and publ_author as well - as relevant linking identifiers to audit_contact_author and - publ_contact_author. Added diffrn_measurement.specimen_attachment_type. + Added opaque author identifiers to AUDIT_AUTHOR and PUBL_AUTHOR as well + as relevant linking identifiers to AUDIT_CONTACT_AUTHOR and + PUBL_CONTACT_AUTHOR. - Added the 'none' measurement units to the definitions of multiple - data items. - - Added methods for determining the measurement units to the definitions - of the _refine_diff.density_min_su, _refine_diff.density_max_su and - _refine_diff.density_rms_su data items. - - Corrected a few typos in several save frame definitions. + Added _diffrn_measurement.specimen_attachment_type. - Corrected the definitions of the ATOM_SITES_CARTN_TRANSFORM category - and the _atom_sites_fract_transform.matrix data item. - - Changed the DDL conformance version number from 3.0.14 to 4.0.1. + Changed to DDL version 4. Removed all instances of the _category.key_id attribute since it is no longer defined in the DDLm reference dictionary. + + Miscellaneous corrections to dREL and fixing typos. ; 3.1.0 2021-12-01 ; @@ -27117,67 +27109,9 @@ save_ Added additional enumeration values to the _journal_index.type data item definition. - Added measurement units to the definitions of multiple data items. - - Removed the _type.dimension attribute from the definition of - the _refln.form_factor_table data item since it is not applicable - to the "Table" content type. - - Changed the imported save frame in the definitions of - the _atom_sites_cartn_transform.vec_* data items from - 'Cartn_matrix' to 'Cartn_vector'. - - Changed the imported save frame in the definitions of - the _atom_sites_fract_transform.vec_* data items from - 'fract_matrix' to 'fract_vector'. - - Changed the units of measurement in the definition of - the _atom_sites_fract_transform.matrix data item from - 'none' to 'reciprocal_angstroms'. - - Changed the units of measurement in the definition of - the _diffrn_radiation_wavelength.value_su data item from - 'none' to 'angstroms'. - - Updated the description of the _diffrn_source.make and - _exptl_absorpt.correction_t_min data items. - - Unified the spelling of certain words. - - Added an enumeration range to the definition of - the _space_group_Wyckoff.multiplicity data item. - - Fixed text description of _atom_site.U,B_iso_or_equiv. - - Added multiple standard uncertainty (SU) data items. - - Restricted the _atom_site.Wyckoff_symbol data item values - to a set of case-sensitive enumeration values. - - Updated the capitalisation of multiple data items. - - Updated the AUDIT_SUPPORT category example case. - - Fixed the _exptl_crystal.colour data item example case. - - Changed the content type of the _space_group.name_H-M_ref - data item from 'Code' to 'Text' and updated the description - to better reflect the formatting of the given enumeration values. + Numerous corrections to measurement units. - Changed legacy case-sensitive data names to 'Word' type for conformance - with DDL1. - - Changed _gt/_lt data names to 'Number' type in accordance with DDL1 - behaviour. Removed associated SU data names. - - Homogenised the definitions of _citation.year, _journal.year, - _citation.journal_issue, and _journal.issue data items. - - Added an upper enumeration limit of 192 to the definition of - the _space_group_symop.id data item. - - Changed the content type of the _journal.paper_doi data item from - 'Code' to 'Text' and added an example case. + Numerous improvements to types and harmonisation of spelling. ; 3.2.0 2023-04-04 ; @@ -27193,60 +27127,15 @@ save_ Added categories and data names to allow for the elemental composition of specimens to be recorded. - Changed the content type of the _diffrn_reflns.limit_min and - _diffrn_reflns.limit_max data items from Real to Integer. - - Updated _audit_author.name, _audit_contact_author.name, - _citation_author.name, and _publ_author.name to specify how authors with - single names should be handled. - - Renamed DIFFRN_STANDARD to DIFFRN_STANDARDS, as well as all data names, - to retain consistency with the DDL1 dictionary. - - Fixed dREL names of _audit_support.funding_organization and - _audit_support.funding_organization_DOI. - - Corrected the dREL methods responsible for the assignment of units of - measurement to the _refine_diff.density_min, _refine_diff.density_min_su, - _refine_diff.density_max, _refine_diff.density_max_su, - _refine_diff.density_rms and _refine_diff.density_rms_su data items. + Corrections and additions for conformance with DDL1. Explicitly added _diffrn_source.details to the list items that replaced _diffrn_source.description. - Added a disclaimer about the use of the _atom_site_symmetry_multiplicity - data name. - - Changed the _exptl_crystal.colour data item from a list to a text string - to restore compatibility with the DDL1 version of the dictionary. - - Updated the descriptions of the _atom_site.disorder_assembly and - _atom_site.disorder_group data items to also apply to compositional - disorder. - Added the _citation.URL and _journal.paper_URL data items. - Changed the content type of multiple id data items. - - Updated URL of the Open Funder Registry repository. - - Updated the references in definitions of the _chemical.enantioexcess_bulk - and _chemical.enantioexcess_crystal data items. - - Changed the scheme part in multiple URLs from 'http' to 'https'. - Added the _journal.paper_number and _journal.paper_pages data items. - Added the 'Other' state to the enumeration set of the - _database_related.relation data item. Added a usage example to - the DATABASE_RELATED category. - - Added several examples to the ATOM_SITE category. - - Updated several definitions with enumeration values to be case-sensitive. - - Removed the _citation_author.key and _citation_editor.id data items. - Reparented CELL to DIFFRN category and added key data names to allow multiple cells for different diffraction conditions. Deprecated _cell_measurement.temperature,pressure data names.