diff --git a/cif_core.dic b/cif_core.dic index eb456cb..a3c2c64 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -11,7 +11,7 @@ data_CIF_CORE _dictionary.title CIF_CORE _dictionary.class Instance _dictionary.version 3.4.0 - _dictionary.date 2026-07-20 + _dictionary.date 2026-08-05 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/cif_core/main/cif_core.dic _dictionary.ddl_conformance 4.2.0 @@ -68,7 +68,6 @@ save_DIFFRN ; _name.category_id DIFFRACTION _name.object_id DIFFRN - _category_key.name '_diffrn.id' save_ @@ -402,24 +401,6 @@ save_diffrn.flux_density save_ -save_diffrn.id - - _definition.id '_diffrn.id' - _definition.update 2022-05-09 - _description.text -; - Unique identifier for a diffraction data set collected under - particular diffraction conditions. -; - _name.category_id diffrn - _name.object_id id - _type.purpose Key - _type.source Assigned - _type.container Single - _type.contents Word - -save_ - save_diffrn.measured_fraction_theta_full _definition.id '_diffrn.measured_fraction_theta_full' @@ -615,7 +596,7 @@ save_CELL _definition.id CELL _definition.scope Category _definition.class Set - _definition.update 2023-03-02 + _definition.update 2026-08-05 _description.text ; The category of data items used to describe the parameters of @@ -623,7 +604,6 @@ save_CELL ; _name.category_id DIFFRN _name.object_id CELL - _category_key.name '_cell.diffrn_id' save_ @@ -862,29 +842,6 @@ save_cell.convert_uiso_to_uij_su save_ -save_cell.diffrn_id - - _definition.id '_cell.diffrn_id' - _definition.update 2023-02-01 - _description.text -; - A pointer to the diffraction conditions to which this cell has been applied, - for example, to locate and extract diffraction peaks. These will normally be - the same conditions as those under which the cell was measured, but some - legacy data sets may have used a cell measured under differing conditions, - in which case those conditions should be indicated using the - _cell_measurement.condition_id data item. -; - _name.category_id cell - _name.object_id diffrn_id - _name.linked_item_id '_diffrn.id' - _type.purpose Link - _type.source Related - _type.container Single - _type.contents Word - -save_ - save_cell.formula_units_z _definition.id '_cell.formula_units_Z' @@ -1968,7 +1925,7 @@ save_CELL_MEASUREMENT _definition.id CELL_MEASUREMENT _definition.scope Category _definition.class Set - _definition.update 2022-05-25 + _definition.update 2026-08-05 _description.text ; The category of data items used to describe the measurement of @@ -1976,51 +1933,6 @@ save_CELL_MEASUREMENT ; _name.category_id CELL _name.object_id CELL_MEASUREMENT - _category_key.name '_cell_measurement.diffrn_id' - -save_ - -save_cell_measurement.condition_id - - _definition.id '_cell_measurement.condition_id' - _definition.update 2023-02-01 - _description.text -; - A pointer to the diffraction conditions used for cell measurement, - where different to the diffraction conditions used for data - collection. -; - _name.category_id cell_measurement - _name.object_id condition_id - _name.linked_item_id '_diffrn.id' - _type.purpose Link - _type.source Related - _type.container Single - _type.contents Word - _method.purpose Definition - _method.expression -; - _enumeration.default = _cell_measurement.diffrn_id -; - -save_ - -save_cell_measurement.diffrn_id - - _definition.id '_cell_measurement.diffrn_id' - _definition.update 2023-02-01 - _description.text -; - A pointer to the diffraction experiment to which the measured cell - has been applied. -; - _name.category_id cell_measurement - _name.object_id diffrn_id - _name.linked_item_id '_diffrn.id' - _type.purpose Link - _type.source Related - _type.container Single - _type.contents Word save_ @@ -29669,7 +29581,7 @@ save_ _atom_site.U_iso_or_equiv. [bm, after Nespolo, M. (2024). J. Appl. Cryst. 57, 1733-1746] ; - 3.4.0 2026-07-20 + 3.4.0 2026-08-05 ; # Append change information below and update the above date # until dictionary is ready for release. @@ -29715,5 +29627,6 @@ save_ Update description od _atom_type.symbol to state that the charge given is the charge, and not the oxidation state. - Remove _exptl_crystal.id as it is present in multiblock dictionary. + Remove _exptl_crystal.id, _diffrn.id and pointers as they are + present in multiblock dictionary. ;