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Removed _diffrn.id names that belong in multi-block dictionary. #641

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Merged
jamesrhester merged 2 commits into from
Aug 6, 2026
Merged

Removed _diffrn.id names that belong in multi-block dictionary. #641

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cc6444f
Removed _diffrn.id names that belong in multi-block dictionary.
jamesrhester Aug 5, 2026
a70a36c
Remove more _diffrn.id linked data names
jamesrhester Aug 5, 2026
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99 changes: 6 additions & 93 deletions cif_core.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -68,7 +68,6 @@ save_DIFFRN
;
_name.category_id DIFFRACTION
_name.object_id DIFFRN
_category_key.name '_diffrn.id'

save_

Expand Down Expand Up @@ -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'
Expand Down Expand Up @@ -615,15 +596,14 @@ 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
the crystal unit cell.
;
_name.category_id DIFFRN
_name.object_id CELL
_category_key.name '_cell.diffrn_id'

save_

Expand Down Expand Up @@ -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'
Expand Down Expand Up @@ -1968,59 +1925,14 @@ 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
the cell parameters.
;
_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_

Expand Down Expand Up @@ -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.
Expand Down Expand Up @@ -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.
;