From ab59aef28fbc73cd2351e721db194c3c6fcd7feb Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Sat, 18 Jul 2026 22:11:26 +0800 Subject: [PATCH 1/5] update aniso_bij_su --- templ_attr.cif | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/templ_attr.cif b/templ_attr.cif index ca4804e..7fcefb9 100644 --- a/templ_attr.cif +++ b/templ_attr.cif @@ -687,9 +687,10 @@ save_aniso_bij_su ; These are the standard uncertainty values (s.u.) for the standard form of the B^ij^ anisotropic atomic displacement components (see - aniso_BIJ). Because these values are _type.purpose Measurand, the - s.u. values may in practice be auto generated as part of the - B^ij^ calculation. + the linked data name for further details). + + Because these values are _type.purpose Measurand, the s.u. values + may in practice be auto generated as part of the B^ij^ calculation. ; _type.purpose SU _type.source Related From 7a9d067818c2fd274e006c7f22e20b111c43faf8 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Sat, 18 Jul 2026 22:12:27 +0800 Subject: [PATCH 2/5] update aniso_betaij_su --- templ_attr.cif | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/templ_attr.cif b/templ_attr.cif index 7fcefb9..ed1f881 100644 --- a/templ_attr.cif +++ b/templ_attr.cif @@ -736,9 +736,10 @@ save_aniso_betaij_su ; These are the standard uncertainty values (s.u.) for the standard form of the β^ij^ anisotropic atomic displacement components (see - aniso_betaIJ). Because these values are _type.purpose Measurand, the - s.u. values may in practice be auto generated as part of the - β^ij^ calculation. + the linked data name for further details). + + Because these values are _type.purpose Measurand, the s.u. values + may in practice be auto generated as part of the β^ij^ calculation. ; _type.purpose SU _type.source Related From 99d209d9fcb1fd4ee435002d88fb2847eb035795 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Sat, 18 Jul 2026 22:13:11 +0800 Subject: [PATCH 3/5] update aniso_uij_su --- templ_attr.cif | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/templ_attr.cif b/templ_attr.cif index ed1f881..f19eccb 100644 --- a/templ_attr.cif +++ b/templ_attr.cif @@ -786,9 +786,10 @@ save_aniso_uij_su ; These are the standard uncertainty values (s.u.) for the standard form of the U^ij^ anisotropic atomic displacement components (see - aniso_UIJ). Because these values are _type.purpose Measurand, the - s.u. values may in practice be auto generated as part of the - U^ij^ calculation. + the linked data name for further details). + + Because these values are _type.purpose Measurand, the s.u. values + may in practice be auto generated as part of the U^ij^ calculation. ; _type.purpose SU _type.source Related From e49fe54201db31452214ee3673b66f9cbac5c95e Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Sat, 18 Jul 2026 22:16:15 +0800 Subject: [PATCH 4/5] add references --- templ_attr.cif | 3 +++ 1 file changed, 3 insertions(+) diff --git a/templ_attr.cif b/templ_attr.cif index f19eccb..71281b5 100644 --- a/templ_attr.cif +++ b/templ_attr.cif @@ -180,6 +180,9 @@ save_matrix_w _description.text ; Element of the matrix W defined by van Smaalen (1991); (1995) + + Smaalen, S. van (1991) Phys. Rev. B, 43, 11330-11341. + Smaalen, S. van (1995) Crystallogr. Rev. 4, 79-202. ; _type.purpose Number _type.source Assigned From 29b35987dac00065def36c63ac962ad28c6b72ce Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Thu, 23 Jul 2026 08:05:35 +0800 Subject: [PATCH 5/5] shorten description --- templ_attr.cif | 24 ++++++------------------ 1 file changed, 6 insertions(+), 18 deletions(-) diff --git a/templ_attr.cif b/templ_attr.cif index 71281b5..fc85d04 100644 --- a/templ_attr.cif +++ b/templ_attr.cif @@ -688,12 +688,8 @@ save_aniso_bij_su _definition.update 2025-03-27 _description.text ; - These are the standard uncertainty values (s.u.) for the standard - form of the B^ij^ anisotropic atomic displacement components (see - the linked data name for further details). - - Because these values are _type.purpose Measurand, the s.u. values - may in practice be auto generated as part of the B^ij^ calculation. + Standard uncertainty of the indicated B^ij^ anisotropic atomic + displacement component. ; _type.purpose SU _type.source Related @@ -737,12 +733,8 @@ save_aniso_betaij_su _definition.update 2025-03-27 _description.text ; - These are the standard uncertainty values (s.u.) for the standard - form of the β^ij^ anisotropic atomic displacement components (see - the linked data name for further details). - - Because these values are _type.purpose Measurand, the s.u. values - may in practice be auto generated as part of the β^ij^ calculation. + Standard uncertainty of the indicated β^ij^ anisotropic atomic + displacement component. ; _type.purpose SU _type.source Related @@ -787,12 +779,8 @@ save_aniso_uij_su _definition.update 2025-03-27 _description.text ; - These are the standard uncertainty values (s.u.) for the standard - form of the U^ij^ anisotropic atomic displacement components (see - the linked data name for further details). - - Because these values are _type.purpose Measurand, the s.u. values - may in practice be auto generated as part of the U^ij^ calculation. + Standard uncertainty of the indicated U^ij^ anisotropic atomic + displacement component. ; _type.purpose SU _type.source Related