@@ -10,9 +10,12 @@ data_MULTIBLOCK_DIC
1010 _dictionary.title MULTIBLOCK_DIC
1111 _dictionary.class Instance
1212 _dictionary.version 1.1.0
13- _dictionary.date 2025-07-07
13+ _dictionary.date 2025-11-28
1414 _dictionary.uri
15- https://raw.githubusercontent.com/COMCIFS/MultiBlock_Dictionary/main/multi_block_core.dic
15+ ;\
16+ https://raw.githubusercontent.com/COMCIFS/MultiBlock_Dictionary/main/\
17+ multi_block_core.dic
18+ ;
1619 _dictionary.ddl_conformance 4.2.0
1720 _dictionary.namespace CifCore
1821 _description.text
@@ -280,6 +283,162 @@ save_diffrn.id
280283
281284save_
282285
286+ save_CELL
287+
288+ _definition.id CELL
289+ _definition.scope Category
290+ _definition.class Set
291+ _definition.update 2023-03-02
292+ _description.text
293+ ;
294+ The CATEGORY of data items used to describe the parameters of
295+ the crystal unit cell.
296+ ;
297+ _name.category_id DIFFRN
298+ _name.object_id CELL
299+ _category_key.name '_cell.structure_id'
300+
301+ save_
302+
303+ save_cell.structure_id
304+
305+ _definition.id '_cell.structure_id'
306+ _definition.update 2024-02-05
307+ _description.text
308+ ;
309+ A code identifying the crystallographic structure associated with this cell
310+ description.
311+ ;
312+ _name.category_id cell
313+ _name.object_id structure_id
314+ _name.linked_item_id '_structure.id'
315+ _type.purpose Link
316+ _type.source Assigned
317+ _type.container Single
318+ _type.contents Word
319+
320+ save_
321+
322+ save_CELL_MEASUREMENT
323+
324+ _definition.id CELL_MEASUREMENT
325+ _definition.scope Category
326+ _definition.class Set
327+ _definition.update 2022-05-25
328+ _description.text
329+ ;
330+ The CATEGORY of data items used to describe the measurement of
331+ the cell parameters.
332+ ;
333+ _name.category_id CELL
334+ _name.object_id CELL_MEASUREMENT
335+ _category_key.name '_cell_measurement.structure_id'
336+
337+ save_
338+
339+ save_cell_measurement.condition_id
340+
341+ _definition.id '_cell_measurement.condition_id'
342+ _definition.update 2023-02-01
343+ _description.text
344+ ;
345+ A pointer to the diffraction conditions used for cell measurement,
346+ where different to the diffraction conditions used for data
347+ collection.
348+ ;
349+ _name.category_id cell_measurement
350+ _name.object_id condition_id
351+ _name.linked_item_id '_diffrn.id'
352+ _type.purpose Link
353+ _type.source Related
354+ _type.container Single
355+ _type.contents Word
356+ _method.purpose Definition
357+ _method.expression
358+ ;
359+ _enumeration.default = _cell_measurement.diffrn_id
360+ ;
361+
362+ save_
363+
364+ save_cell_measurement.diffrn_id
365+
366+ _definition.id '_cell_measurement.diffrn_id'
367+ _definition.update 2023-10-26
368+ _description.text
369+ ;
370+ A pointer to the diffraction experiment to which the measured cell
371+ has been applied.
372+ ;
373+ _name.category_id cell_measurement
374+ _name.object_id diffrn_id
375+ _name.linked_item_id '_diffrn.id'
376+ _type.purpose Link
377+ _type.source Related
378+ _type.container Single
379+ _type.contents Word
380+
381+ save_
382+
383+ save_cell_measurement.structure_id
384+
385+ _definition.id '_cell_measurement.structure_id'
386+ _definition.update 2024-02-05
387+ _description.text
388+ ;
389+ A code identifying the structure to which the cell being measured belongs.
390+ ;
391+ _name.category_id cell_measurement
392+ _name.object_id structure_id
393+ _name.linked_item_id '_structure.id'
394+ _type.purpose Link
395+ _type.source Assigned
396+ _type.container Single
397+ _type.contents Word
398+
399+ save_
400+
401+ save_CELL_MEASUREMENT_REFLN
402+
403+ _definition.id CELL_MEASUREMENT_REFLN
404+ _definition.scope Category
405+ _definition.class Loop
406+ _definition.update 2023-10-16
407+ _description.text
408+ ;
409+ The CATEGORY of data items used to describe the reflection data
410+ used in the measurement of the crystal unit cell.
411+ ;
412+ _name.category_id CELL_MEASUREMENT
413+ _name.object_id CELL_MEASUREMENT_REFLN
414+
415+ loop_
416+ _category_key.name
417+ '_cell_measurement_refln.index_h'
418+ '_cell_measurement_refln.index_k'
419+ '_cell_measurement_refln.index_l'
420+ '_cell_measurement_refln.structure_id'
421+
422+ save_
423+
424+ save_cell_measurement_refln.structure_id
425+
426+ _definition.id '_cell_measurement_refln.structure_id'
427+ _definition.update 2023-10-16
428+ _description.text
429+ ;
430+ A code identifying the structure for which the reflections were measured.
431+ ;
432+ _name.category_id cell_measurement_refln
433+ _name.object_id structure_id
434+ _name.linked_item_id '_structure.id'
435+ _type.purpose Link
436+ _type.source Assigned
437+ _type.container Single
438+ _type.contents Word
439+
440+ save_
441+
283442save_DIFFRN_DETECTOR
284443
285444 _definition.id DIFFRN_DETECTOR
@@ -360,7 +519,7 @@ save_
360519
361520save_diffrn_radiation.diffrn_id
362521
363- _definition.id 'diffrn_radiation .diffrn_id'
522+ _definition.id '_diffrn_radiation .diffrn_id'
364523 _definition.update 2025-06-30
365524 _description.text
366525;
@@ -473,162 +632,6 @@ save_diffrn_source.radiation_id
473632
474633save_
475634
476- save_CELL
477-
478- _definition.id CELL
479- _definition.scope Category
480- _definition.class Set
481- _definition.update 2023-03-02
482- _description.text
483- ;
484- The CATEGORY of data items used to describe the parameters of
485- the crystal unit cell.
486- ;
487- _name.category_id DIFFRN
488- _name.object_id CELL
489- _category_key.name '_cell.structure_id'
490-
491- save_
492-
493- save_cell.structure_id
494-
495- _definition.id '_cell.structure_id'
496- _definition.update 2024-02-05
497- _description.text
498- ;
499- A code identifying the crystallographic structure associated with this cell
500- description.
501- ;
502- _name.category_id cell
503- _name.object_id structure_id
504- _name.linked_item_id '_structure.id'
505- _type.purpose Link
506- _type.source Assigned
507- _type.container Single
508- _type.contents Word
509-
510- save_
511-
512- save_CELL_MEASUREMENT
513-
514- _definition.id CELL_MEASUREMENT
515- _definition.scope Category
516- _definition.class Set
517- _definition.update 2022-05-25
518- _description.text
519- ;
520- The CATEGORY of data items used to describe the measurement of
521- the cell parameters.
522- ;
523- _name.category_id CELL
524- _name.object_id CELL_MEASUREMENT
525- _category_key.name '_cell_measurement.structure_id'
526-
527- save_
528-
529- save_cell_measurement.condition_id
530-
531- _definition.id '_cell_measurement.condition_id'
532- _definition.update 2023-02-01
533- _description.text
534- ;
535- A pointer to the diffraction conditions used for cell measurement,
536- where different to the diffraction conditions used for data
537- collection.
538- ;
539- _name.category_id cell_measurement
540- _name.object_id condition_id
541- _name.linked_item_id '_diffrn.id'
542- _type.purpose Link
543- _type.source Related
544- _type.container Single
545- _type.contents Word
546- _method.purpose Definition
547- _method.expression
548- ;
549- _enumeration.default = _cell_measurement.diffrn_id
550- ;
551-
552- save_
553-
554- save_cell_measurement.diffrn_id
555-
556- _definition.id '_cell_measurement.diffrn_id'
557- _definition.update 2023-10-26
558- _description.text
559- ;
560- A pointer to the diffraction experiment to which the measured cell
561- has been applied.
562- ;
563- _name.category_id cell_measurement
564- _name.object_id diffrn_id
565- _name.linked_item_id '_diffrn.id'
566- _type.purpose Link
567- _type.source Related
568- _type.container Single
569- _type.contents Word
570-
571- save_
572-
573- save_cell_measurement.structure_id
574-
575- _definition.id '_cell_measurement.structure_id'
576- _definition.update 2024-02-05
577- _description.text
578- ;
579- A code identifying the structure to which the cell being measured belongs.
580- ;
581- _name.category_id cell_measurement
582- _name.object_id structure_id
583- _name.linked_item_id '_structure.id'
584- _type.purpose Link
585- _type.source Assigned
586- _type.container Single
587- _type.contents Word
588-
589- save_
590-
591- save_CELL_MEASUREMENT_REFLN
592-
593- _definition.id CELL_MEASUREMENT_REFLN
594- _definition.scope Category
595- _definition.class Loop
596- _definition.update 2023-10-16
597- _description.text
598- ;
599- The CATEGORY of data items used to describe the reflection data
600- used in the measurement of the crystal unit cell.
601- ;
602- _name.category_id CELL_MEASUREMENT
603- _name.object_id CELL_MEASUREMENT_REFLN
604-
605- loop_
606- _category_key.name
607- '_cell_measurement_refln.index_h'
608- '_cell_measurement_refln.index_k'
609- '_cell_measurement_refln.index_l'
610- '_cell_measurement_refln.structure_id'
611-
612- save_
613-
614- save_cell_measurement_refln.structure_id
615-
616- _definition.id '_cell_measurement_refln.structure_id'
617- _definition.update 2023-10-16
618- _description.text
619- ;
620- A code identifying the structure for which the reflections were measured.
621- ;
622- _name.category_id cell_measurement_refln
623- _name.object_id structure_id
624- _name.linked_item_id '_structure.id'
625- _type.purpose Link
626- _type.source Assigned
627- _type.container Single
628- _type.contents Word
629-
630- save_
631-
632635save_EXPTL_CRYSTAL
633636
634637 _definition.id EXPTL_CRYSTAL
@@ -1416,7 +1419,7 @@ save_
14161419;
14171420 All multi-block items from core 3.2.0 added.
14181421;
1419- 1.1.0 2025-07-07
1422+ 1.1.0 2025-11-28
14201423;
14211424 # Update date above and add audit comments below. Remove
14221425 this comment when ready for release.
@@ -1439,9 +1442,11 @@ save_
14391442
14401443 Added _model.id as key to MODEL.
14411444
1442- Added GEOM_* and MODEL_SITE categories with _model.id child key data names.
1445+ Added GEOM_* and MODEL_SITE categories with _model.id child key data
1446+ names.
14431447
1444- Add DIFFRN_SOURCE category with _diffrn_source.radiation_id key data name.
1448+ Add DIFFRN_SOURCE category with _diffrn_source.radiation_id key data
1449+ name.
14451450
14461451 Add DIFFRN_DETECTOR category with _diffrn_detector.id and
14471452 _diffrn_detector.diffrn_id key data names. Included
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