From 0b4d370b0760dc67226b8c71bf8ff4fc018ffdd3 Mon Sep 17 00:00:00 2001 From: vaitkus Date: Fri, 23 May 2025 17:34:54 +0300 Subject: [PATCH 1/2] Update _geom_angle.value in accordance to coreCIF --- cif_ms.dic | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/cif_ms.dic b/cif_ms.dic index adf83a7..a59e9d7 100644 --- a/cif_ms.dic +++ b/cif_ms.dic @@ -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 @@ -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 @@ -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_ @@ -12855,7 +12856,7 @@ 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. @@ -12866,4 +12867,7 @@ 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. ; From 819b8b09752421a94ea4c803a80b4b78ccccffa5 Mon Sep 17 00:00:00 2001 From: vaitkus Date: Fri, 23 May 2025 17:39:35 +0300 Subject: [PATCH 2/2] Update the human-readable description of _geom_angle.value --- cif_ms.dic | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/cif_ms.dic b/cif_ms.dic index a59e9d7..f7a3247 100644 --- a/cif_ms.dic +++ b/cif_ms.dic @@ -12670,11 +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