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Homogenise _geom_angle.value definition #29

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Homogenise _geom_angle.value definition #29

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0b4d370
Update _geom_angle.value in accordance to coreCIF
vaitkus May 23, 2025
819b8b0
Update the human-readable description of _geom_angle.value
vaitkus May 23, 2025
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17 changes: 10 additions & 7 deletions cif_ms.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ data_CIF_MS
_dictionary.formalism Modulated
_dictionary.class Instance
_dictionary.version 3.2.1
_dictionary.date 2024-05-17
_dictionary.date 2025-05-23
_dictionary.uri http://www.iucr.org/cif/dic/cif_ms.dic
_dictionary.ddl_conformance 3.13.1
_dictionary.namespace ModStruct
Expand Down Expand Up @@ -12645,7 +12645,8 @@ save_
save_geom_angle.value

_definition.id '_geom_angle.value'
_definition.update 2016-11-17
_alias.definition_id '_geom_angle'
_definition.update 2025-05-23
_description.text
;
Angle defined by the atoms located at atom_site_x/site_symmetry_x for
Expand All @@ -12657,7 +12658,7 @@ _type.purpose Measurand
_type.source Derived
_type.container Single
_type.contents Real
_enumeration.range -180.:180.
_enumeration.range 0.0:180.0
_units.code degrees

save_
Expand All @@ -12669,11 +12670,10 @@ loop_
_alias.definition_id
'_geom_angle_su'
'_geom_angle.value_esd'
_definition.update 2016-11-17
_definition.update 2025-05-23
_description.text
;
Standard Uncertainty of the
angle defined by the sites identified by _geom_angle.id
Standard uncertainty of _geom_angle.value.
;
_name.category_id geom_angle
_name.object_id value_su
Expand Down Expand Up @@ -12855,7 +12855,7 @@ loop_
Returned all additional indices to main dictionary, removed category_id
from templates(James Hester)
;
3.2.1 2024-05-17
3.2.1 2025-05-23
;
Corrected a typo in the definition of the _geom_torsion.angle data item.

Expand All @@ -12866,4 +12866,7 @@ loop_
category name.

Renamed the head category from 'MS_GROUP' to 'CIF_MS_HEAD'.

Updated the redefined _geom_angle.value definition to be more compatible
with the original one from the coreCIF dictionary.
;
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