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add _refln.structure_id #64

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cc2c618
add _refln.structure_id
rowlesmr Jul 1, 2026
f27b7ad
Remove _refln.structure_id definition
rowlesmr Jul 2, 2026
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18 changes: 16 additions & 2 deletions cif_ms.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -16984,7 +16984,7 @@ save_REFLN
_definition.id REFLN
_definition.scope Category
_definition.class Loop
_definition.update 2025-06-22
_definition.update 2026-06-05
_description.text
;
Data items in the REFLN category record details about the
Expand All @@ -16996,10 +16996,17 @@ save_REFLN
are extensions of the core CIF dictionary definitions to the
indexing of reflections used in the refinement by
higher-dimensional components.

_refln.structure_id may be omitted if only one _structure.id
is present in the same data block
;
_name.category_id CIF_MS_HEAD
_name.object_id REFLN
_category_key.name '_refln.id'

loop_
_category_key.name
'_refln.id'
'_refln.structure_id'

save_

Expand Down Expand Up @@ -18741,11 +18748,18 @@ save_
Changed the _category_key.name of DIFFRN_REFLN and REFLN to
_diffrn_refln.id and _refln.id, respectively.

2026-06-05

Add key _refln.structure_id to REFLN to keep in line with
CIF_CORE_MULTIBLOCK.

2026-06-15

Added key _superspace_group.id and linked key
_superspace_group_symop.superspace_group_id

Added linked non-key _structure.superspace_group_id

2026-06-18

Explicitly deprecated the ATOM_SITES_DISPLACE_FOURIER category.
Expand Down