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Merge pull request #38 from vaitkus/fix-dictionary-layout
Fix dictionary layout
2 parents 4612cde + cec2dd0 commit 54ce226

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multi_block_core.dic

Lines changed: 167 additions & 162 deletions
Original file line numberDiff line numberDiff line change
@@ -10,9 +10,12 @@ data_MULTIBLOCK_DIC
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_dictionary.title MULTIBLOCK_DIC
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_dictionary.class Instance
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_dictionary.version 1.1.0
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_dictionary.date 2025-07-07
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_dictionary.date 2025-11-28
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_dictionary.uri
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https://raw.githubusercontent.com/COMCIFS/MultiBlock_Dictionary/main/multi_block_core.dic
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;\
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https://raw.githubusercontent.com/COMCIFS/MultiBlock_Dictionary/main/\
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multi_block_core.dic
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;
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_dictionary.ddl_conformance 4.2.0
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_dictionary.namespace CifCore
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_description.text
@@ -280,6 +283,162 @@ save_diffrn.id
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save_
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save_CELL
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_definition.id CELL
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_definition.scope Category
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_definition.class Set
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_definition.update 2023-03-02
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_description.text
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;
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The CATEGORY of data items used to describe the parameters of
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the crystal unit cell.
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;
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_name.category_id DIFFRN
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_name.object_id CELL
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_category_key.name '_cell.structure_id'
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save_
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save_cell.structure_id
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_definition.id '_cell.structure_id'
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_definition.update 2024-02-05
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_description.text
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;
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A code identifying the crystallographic structure associated with this cell
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description.
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;
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_name.category_id cell
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_CELL_MEASUREMENT
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_definition.id CELL_MEASUREMENT
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_definition.scope Category
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_definition.class Set
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_definition.update 2022-05-25
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_description.text
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;
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The CATEGORY of data items used to describe the measurement of
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the cell parameters.
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;
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_name.category_id CELL
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_name.object_id CELL_MEASUREMENT
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_category_key.name '_cell_measurement.structure_id'
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save_
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save_cell_measurement.condition_id
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_definition.id '_cell_measurement.condition_id'
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_definition.update 2023-02-01
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_description.text
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;
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A pointer to the diffraction conditions used for cell measurement,
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where different to the diffraction conditions used for data
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collection.
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;
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_name.category_id cell_measurement
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_name.object_id condition_id
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_name.linked_item_id '_diffrn.id'
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_type.purpose Link
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_type.source Related
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_type.container Single
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_type.contents Word
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_method.purpose Definition
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_method.expression
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;
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_enumeration.default = _cell_measurement.diffrn_id
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;
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save_
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save_cell_measurement.diffrn_id
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_definition.id '_cell_measurement.diffrn_id'
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_definition.update 2023-10-26
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_description.text
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;
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A pointer to the diffraction experiment to which the measured cell
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has been applied.
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;
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_name.category_id cell_measurement
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_name.object_id diffrn_id
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_name.linked_item_id '_diffrn.id'
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_type.purpose Link
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_type.source Related
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_type.container Single
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_type.contents Word
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save_
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save_cell_measurement.structure_id
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_definition.id '_cell_measurement.structure_id'
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_definition.update 2024-02-05
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_description.text
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;
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A code identifying the structure to which the cell being measured belongs.
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;
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_name.category_id cell_measurement
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_CELL_MEASUREMENT_REFLN
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_definition.id CELL_MEASUREMENT_REFLN
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_definition.scope Category
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_definition.class Loop
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_definition.update 2023-10-16
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_description.text
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;
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The CATEGORY of data items used to describe the reflection data
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used in the measurement of the crystal unit cell.
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;
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_name.category_id CELL_MEASUREMENT
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_name.object_id CELL_MEASUREMENT_REFLN
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loop_
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_category_key.name
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'_cell_measurement_refln.index_h'
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'_cell_measurement_refln.index_k'
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'_cell_measurement_refln.index_l'
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'_cell_measurement_refln.structure_id'
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save_
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save_cell_measurement_refln.structure_id
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_definition.id '_cell_measurement_refln.structure_id'
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_definition.update 2023-10-16
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_description.text
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;
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A code identifying the structure for which the reflections were measured.
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;
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_name.category_id cell_measurement_refln
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_DIFFRN_DETECTOR
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_definition.id DIFFRN_DETECTOR
@@ -360,7 +519,7 @@ save_
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save_diffrn_radiation.diffrn_id
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_definition.id 'diffrn_radiation.diffrn_id'
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_definition.id '_diffrn_radiation.diffrn_id'
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_definition.update 2025-06-30
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_description.text
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;
@@ -473,162 +632,6 @@ save_diffrn_source.radiation_id
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save_
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save_CELL
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_definition.id CELL
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_definition.scope Category
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_definition.class Set
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_definition.update 2023-03-02
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_description.text
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;
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The CATEGORY of data items used to describe the parameters of
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the crystal unit cell.
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;
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_name.category_id DIFFRN
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_name.object_id CELL
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_category_key.name '_cell.structure_id'
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save_
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save_cell.structure_id
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_definition.id '_cell.structure_id'
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_definition.update 2024-02-05
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_description.text
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;
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A code identifying the crystallographic structure associated with this cell
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description.
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;
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_name.category_id cell
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_CELL_MEASUREMENT
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_definition.id CELL_MEASUREMENT
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_definition.scope Category
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_definition.class Set
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_definition.update 2022-05-25
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_description.text
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;
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The CATEGORY of data items used to describe the measurement of
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the cell parameters.
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;
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_name.category_id CELL
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_name.object_id CELL_MEASUREMENT
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_category_key.name '_cell_measurement.structure_id'
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save_
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save_cell_measurement.condition_id
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_definition.id '_cell_measurement.condition_id'
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_definition.update 2023-02-01
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_description.text
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;
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A pointer to the diffraction conditions used for cell measurement,
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where different to the diffraction conditions used for data
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collection.
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;
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_name.category_id cell_measurement
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_name.object_id condition_id
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_name.linked_item_id '_diffrn.id'
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_type.purpose Link
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_type.source Related
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_type.container Single
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_type.contents Word
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_method.purpose Definition
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_method.expression
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;
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_enumeration.default = _cell_measurement.diffrn_id
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;
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save_
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save_cell_measurement.diffrn_id
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_definition.id '_cell_measurement.diffrn_id'
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_definition.update 2023-10-26
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_description.text
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;
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A pointer to the diffraction experiment to which the measured cell
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has been applied.
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;
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_name.category_id cell_measurement
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_name.object_id diffrn_id
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_name.linked_item_id '_diffrn.id'
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_type.purpose Link
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_type.source Related
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_type.container Single
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_type.contents Word
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save_
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save_cell_measurement.structure_id
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_definition.id '_cell_measurement.structure_id'
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_definition.update 2024-02-05
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_description.text
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;
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A code identifying the structure to which the cell being measured belongs.
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;
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_name.category_id cell_measurement
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_CELL_MEASUREMENT_REFLN
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_definition.id CELL_MEASUREMENT_REFLN
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_definition.scope Category
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_definition.class Loop
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_definition.update 2023-10-16
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_description.text
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;
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The CATEGORY of data items used to describe the reflection data
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used in the measurement of the crystal unit cell.
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;
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_name.category_id CELL_MEASUREMENT
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_name.object_id CELL_MEASUREMENT_REFLN
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loop_
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_category_key.name
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'_cell_measurement_refln.index_h'
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'_cell_measurement_refln.index_k'
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'_cell_measurement_refln.index_l'
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'_cell_measurement_refln.structure_id'
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save_
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save_cell_measurement_refln.structure_id
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_definition.id '_cell_measurement_refln.structure_id'
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_definition.update 2023-10-16
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_description.text
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;
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A code identifying the structure for which the reflections were measured.
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;
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_name.category_id cell_measurement_refln
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_name.object_id structure_id
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_name.linked_item_id '_structure.id'
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_type.purpose Link
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_type.source Assigned
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_type.container Single
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_type.contents Word
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save_
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save_EXPTL_CRYSTAL
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_definition.id EXPTL_CRYSTAL
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;
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All multi-block items from core 3.2.0 added.
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;
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1.1.0 2025-07-07
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1.1.0 2025-11-28
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;
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# Update date above and add audit comments below. Remove
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this comment when ready for release.
@@ -1439,9 +1442,11 @@ save_
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Added _model.id as key to MODEL.
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Added GEOM_* and MODEL_SITE categories with _model.id child key data names.
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Added GEOM_* and MODEL_SITE categories with _model.id child key data
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names.
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Add DIFFRN_SOURCE category with _diffrn_source.radiation_id key data name.
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Add DIFFRN_SOURCE category with _diffrn_source.radiation_id key data
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name.
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Add DIFFRN_DETECTOR category with _diffrn_detector.id and
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_diffrn_detector.diffrn_id key data names. Included

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