From fef49b9c18da953c85a682d006952626751e371a Mon Sep 17 00:00:00 2001 From: Brian McMahon Date: Fri, 15 Mar 2024 10:08:19 +0000 Subject: [PATCH 1/3] Added _su entries for Measurand items --- cif_mag.dic | 636 +++++++++++++++++++++++++++++++++++++++++++++++++++- 1 file changed, 635 insertions(+), 1 deletion(-) diff --git a/cif_mag.dic b/cif_mag.dic index d3547f0..3260904 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -10,7 +10,7 @@ data_MAGNETIC_CIF _dictionary.title MAGNETIC_CIF _dictionary.class Instance _dictionary.version 0.9.9 - _dictionary.date 2024-03-13 + _dictionary.date 2024-03-15 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/magnetic_dic/main/cif_mag.dic _dictionary.ddl_conformance 4.1.0 @@ -289,6 +289,26 @@ save_atom_site_moment.cartn save_ +save_atom_site_moment.cartn_su + _definition.id '_atom_site_moment.Cartn_su' + _alias.definition_id '_atom_site_moment_Cartn_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.Cartn. +; + _name.category_id atom_site_moment + _name.object_id Cartn + _name.linked_item_id '_atom_site_moment.Cartn' + _type.purpose SU + _type.source Related + _type.container Matrix + _type.dimension '[3]' + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.cartn_x _definition.id '_atom_site_moment.Cartn_x' @@ -309,6 +329,25 @@ save_atom_site_moment.cartn_x save_ +save_atom_site_moment.cartn_x_su + _definition.id '_atom_site_moment.Cartn_x_su' + _alias.definition_id '_atom_site_moment_Cartn_x_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.Cartn_x. +; + _name.category_id atom_site_moment + _name.object_id Cartn_x + _name.linked_item_id '_atom_site_moment.Cartn_x' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.cartn_y _definition.id '_atom_site_moment.Cartn_y' @@ -329,6 +368,25 @@ save_atom_site_moment.cartn_y save_ +save_atom_site_moment.cartn_y_su + _definition.id '_atom_site_moment.Cartn_y_su' + _alias.definition_id '_atom_site_moment_Cartn_y_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.Cartn_y. +; + _name.category_id atom_site_moment + _name.object_id Cartn_y + _name.linked_item_id '_atom_site_moment.Cartn_y' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.cartn_z _definition.id '_atom_site_moment.Cartn_z' @@ -349,6 +407,25 @@ save_atom_site_moment.cartn_z save_ +save_atom_site_moment.cartn_z_su + _definition.id '_atom_site_moment.Cartn_z_su' + _alias.definition_id '_atom_site_moment_Cartn_z_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.Cartn_z. +; + _name.category_id atom_site_moment + _name.object_id Cartn_z + _name.linked_item_id '_atom_site_moment.Cartn_z' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.crystalaxis _definition.id '_atom_site_moment.crystalaxis' @@ -377,6 +454,26 @@ save_atom_site_moment.crystalaxis save_ +save_atom_site_moment.crystalaxis_su + _definition.id '_atom_site_moment.crystalaxis_su' + _alias.definition_id '_atom_site_moment_crystalaxis_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.crystalaxis. +; + _name.category_id atom_site_moment + _name.object_id crystalaxis + _name.linked_item_id '_atom_site_moment.crystalaxis' + _type.purpose SU + _type.source Related + _type.container Matrix + _type.dimension '[3]' + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.crystalaxis_x _definition.id '_atom_site_moment.crystalaxis_x' @@ -397,6 +494,25 @@ save_atom_site_moment.crystalaxis_x save_ +save_atom_site_moment.crystalaxis_x_su + _definition.id '_atom_site_moment.crystalaxis_x_su' + _alias.definition_id '_atom_site_moment_crystalaxis_x_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.crystalaxis_x. +; + _name.category_id atom_site_moment + _name.object_id crystalaxis_x + _name.linked_item_id '_atom_site_moment.crystalaxis_x' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.crystalaxis_y _definition.id '_atom_site_moment.crystalaxis_y' @@ -417,6 +533,25 @@ save_atom_site_moment.crystalaxis_y save_ +save_atom_site_moment.crystalaxis_y_su + _definition.id '_atom_site_moment.crystalaxis_y_su' + _alias.definition_id '_atom_site_moment_crystalaxis_y_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.crystalaxis_y. +; + _name.category_id atom_site_moment + _name.object_id crystalaxis_y + _name.linked_item_id '_atom_site_moment.crystalaxis_y' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.crystalaxis_z _definition.id '_atom_site_moment.crystalaxis_z' @@ -437,6 +572,25 @@ save_atom_site_moment.crystalaxis_z save_ +save_atom_site_moment.crystalaxis_z_su + _definition.id '_atom_site_moment.crystalaxis_z_su' + _alias.definition_id '_atom_site_moment_crystalaxis_z_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.crystalaxis_z. +; + _name.category_id atom_site_moment + _name.object_id crystalaxis_z + _name.linked_item_id '_atom_site_moment.crystalaxis_z' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.label _definition.id '_atom_site_moment.label' @@ -467,6 +621,25 @@ save_atom_site_moment.magnitude save_ +save_atom_site_moment.magnitude_su + _definition.id '_atom_site_moment.magnitude_su' + _alias.definition_id '_atom_site_moment_magnitude_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.magnitude. +; + _name.category_id atom_site_moment + _name.object_id magnitude + _name.linked_item_id '_atom_site_moment.magnitude' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.modulation_flag _definition.id '_atom_site_moment.modulation_flag' @@ -549,6 +722,25 @@ save_atom_site_moment.spherical_azimuthal save_ +save_atom_site_moment.spherical_azimuthal_su + _definition.id '_atom_site_moment.spherical_azimuthal_su' + _alias.definition_id '_atom_site_moment_spherical_azimuthal_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.spherical_azimuthal. +; + _name.category_id atom_site_moment + _name.object_id spherical_azimuthal + _name.linked_item_id '_atom_site_moment.spherical_azimuthal' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code degrees + +save_ + save_atom_site_moment.spherical_modulus _definition.id '_atom_site_moment.spherical_modulus' @@ -570,6 +762,25 @@ save_atom_site_moment.spherical_modulus save_ +save_atom_site_moment.spherical_modulus_su + _definition.id '_atom_site_moment.spherical_modulus_su' + _alias.definition_id '_atom_site_moment_spherical_modulus_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.spherical_modulus. +; + _name.category_id atom_site_moment + _name.object_id spherical_modulus + _name.linked_item_id '_atom_site_moment.spherical_modulus' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment.spherical_polar _definition.id '_atom_site_moment.spherical_polar' @@ -593,6 +804,25 @@ save_atom_site_moment.spherical_polar save_ +save_atom_site_moment.spherical_polar_su + _definition.id '_atom_site_moment.spherical_polar_su' + _alias.definition_id '_atom_site_moment_spherical_polar_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment.spherical_polar. +; + _name.category_id atom_site_moment + _name.object_id spherical_polar + _name.linked_item_id '_atom_site_moment.spherical_polar' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code degrees + +save_ + save_atom_site_moment.symmform _definition.id '_atom_site_moment.symmform' @@ -687,6 +917,26 @@ save_atom_site_rotation.cartn save_ +save_atom_site_rotation.cartn_su + _definition.id '_atom_site_rotation.Cartn_su' + _alias.definition_id '_atom_site_rotation_Cartn_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.Cartn. +; + _name.category_id atom_site_rotation + _name.object_id Cartn + _name.linked_item_id '_atom_site_rotation.Cartn' + _type.purpose SU + _type.source Related + _type.container Matrix + _type.dimension '[3]' + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.cartn_x _definition.id '_atom_site_rotation.Cartn_x' @@ -707,6 +957,25 @@ save_atom_site_rotation.cartn_x save_ +save_atom_site_rotation.cartn_x_su + _definition.id '_atom_site_rotation.Cartn_x_su' + _alias.definition_id '_atom_site_rotation_Cartn_x_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.Cartn_x. +; + _name.category_id atom_site_rotation + _name.object_id Cartn_x + _name.linked_item_id '_atom_site_rotation.Cartn_x' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.cartn_y _definition.id '_atom_site_rotation.Cartn_y' @@ -727,6 +996,25 @@ save_atom_site_rotation.cartn_y save_ +save_atom_site_rotation.cartn_y_su + _definition.id '_atom_site_rotation.Cartn_y_su' + _alias.definition_id '_atom_site_rotation_Cartn_y_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.Cartn_y. +; + _name.category_id atom_site_rotation + _name.object_id Cartn_y + _name.linked_item_id '_atom_site_rotation.Cartn_y' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.cartn_z _definition.id '_atom_site_rotation.Cartn_z' @@ -747,6 +1035,25 @@ save_atom_site_rotation.cartn_z save_ +save_atom_site_rotation.cartn_z_su + _definition.id '_atom_site_rotation.Cartn_z_su' + _alias.definition_id '_atom_site_rotation_Cartn_z_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.Cartn_z. +; + _name.category_id atom_site_rotation + _name.object_id Cartn_z + _name.linked_item_id '_atom_site_rotation.Cartn_z' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.crystalaxis _definition.id '_atom_site_rotation.crystalaxis' @@ -775,6 +1082,26 @@ save_atom_site_rotation.crystalaxis save_ +save_atom_site_rotation.crystalaxis_su + _definition.id '_atom_site_rotation.crystalaxis_su' + _alias.definition_id '_atom_site_rotation_crystalaxis_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.crystalaxis. +; + _name.category_id atom_site_rotation + _name.object_id crystalaxis + _name.linked_item_id '_atom_site_rotation.crystalaxis' + _type.purpose SU + _type.source Related + _type.container Matrix + _type.dimension '[3]' + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.crystalaxis_x _definition.id '_atom_site_rotation.crystalaxis_x' @@ -795,6 +1122,25 @@ save_atom_site_rotation.crystalaxis_x save_ +save_atom_site_rotation.crystalaxis_x_su + _definition.id '_atom_site_rotation.crystalaxis_x_su' + _alias.definition_id '_atom_site_rotation_crystalaxis_x_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.crystalaxis_x. +; + _name.category_id atom_site_rotation + _name.object_id crystalaxis_x + _name.linked_item_id '_atom_site_rotation.crystalaxis_x' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.crystalaxis_y _definition.id '_atom_site_rotation.crystalaxis_y' @@ -815,6 +1161,25 @@ save_atom_site_rotation.crystalaxis_y save_ +save_atom_site_rotation.crystalaxis_y_su + _definition.id '_atom_site_rotation.crystalaxis_y_su' + _alias.definition_id '_atom_site_rotation_crystalaxis_y_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.crystalaxis_y. +; + _name.category_id atom_site_rotation + _name.object_id crystalaxis_y + _name.linked_item_id '_atom_site_rotation.crystalaxis_y' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.crystalaxis_z _definition.id '_atom_site_rotation.crystalaxis_z' @@ -835,6 +1200,25 @@ save_atom_site_rotation.crystalaxis_z save_ +save_atom_site_rotation.crystalaxis_z_su + _definition.id '_atom_site_rotation.crystalaxis_z_su' + _alias.definition_id '_atom_site_rotation_crystalaxis_z_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.crystalaxis_z. +; + _name.category_id atom_site_rotation + _name.object_id crystalaxis_z + _name.linked_item_id '_atom_site_rotation.crystalaxis_z' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.label _definition.id '_atom_site_rotation.label' @@ -865,6 +1249,25 @@ save_atom_site_rotation.magnitude save_ +save_atom_site_rotation.magnitude_su + _definition.id '_atom_site_rotation.magnitude_su' + _alias.definition_id '_atom_site_rotation_magnitude_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.magnitude. +; + _name.category_id atom_site_rotation + _name.object_id magnitude + _name.linked_item_id '_atom_site_rotation.magnitude' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.modulation_flag _definition.id '_atom_site_rotation.modulation_flag' @@ -949,6 +1352,25 @@ save_atom_site_rotation.spherical_azimuthal save_ +save_atom_site_rotation.spherical_azimuthal_su + _definition.id '_atom_site_rotation.spherical_azimuthal_su' + _alias.definition_id '_atom_site_rotation_spherical_azimuthal_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.spherical_azimuthal. +; + _name.category_id atom_site_rotation + _name.object_id spherical_azimuthal + _name.linked_item_id '_atom_site_rotation.spherical_azimuthal' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code degrees + +save_ + save_atom_site_rotation.spherical_modulus _definition.id '_atom_site_rotation.spherical_modulus' @@ -970,6 +1392,25 @@ save_atom_site_rotation.spherical_modulus save_ +save_atom_site_rotation.spherical_modulus_su + _definition.id '_atom_site_rotation.spherical_modulus_su' + _alias.definition_id '_atom_site_rotation_spherical_modulus_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.spherical_modulus. +; + _name.category_id atom_site_rotation + _name.object_id spherical_modulus + _name.linked_item_id '_atom_site_rotation.spherical_modulus' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code radians + +save_ + save_atom_site_rotation.spherical_polar _definition.id '_atom_site_rotation.spherical_polar' @@ -993,6 +1434,25 @@ save_atom_site_rotation.spherical_polar save_ +save_atom_site_rotation.spherical_polar_su + _definition.id '_atom_site_rotation.spherical_polar_su' + _alias.definition_id '_atom_site_rotation_spherical_polar_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_rotation.spherical_polar. +; + _name.category_id atom_site_rotation + _name.object_id spherical_polar + _name.linked_item_id '_atom_site_rotation.spherical_polar' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code degrees + +save_ + save_atom_site_rotation.symmform _definition.id '_atom_site_rotation.symmform' @@ -1268,6 +1728,25 @@ save_atom_site_moment_fourier_param.cos save_ +save_atom_site_moment_fourier_param.cos_su + _definition.id '_atom_site_moment_Fourier_param.cos_su' + _alias.definition_id '_atom_site_moment_Fourier_param_cos_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_Fourier_param.cos. +; + _name.category_id atom_site_moment_Fourier_param + _name.object_id cos + _name.linked_item_id '_atom_site_moment_Fourier_param.cos' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_fourier_param.cos_symmform _definition.id '_atom_site_moment_Fourier_param.cos_symmform' @@ -1393,6 +1872,25 @@ save_atom_site_moment_fourier_param.modulus save_ +save_atom_site_moment_fourier_param.modulus_su + _definition.id '_atom_site_moment_Fourier_param.modulus_su' + _alias.definition_id '_atom_site_moment_Fourier_param_modulus_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_Fourier_param.modulus. +; + _name.category_id atom_site_moment_Fourier_param + _name.object_id modulus + _name.linked_item_id '_atom_site_moment_Fourier_param.modulus' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_fourier_param.modulus_symmform _definition.id @@ -1490,6 +1988,25 @@ save_atom_site_moment_fourier_param.phase save_ +save_atom_site_moment_fourier_param.phase_su + _definition.id '_atom_site_moment_Fourier_param.phase_su' + _alias.definition_id '_atom_site_moment_Fourier_param_phase_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_Fourier_param.phase. +; + _name.category_id atom_site_moment_Fourier_param + _name.object_id phase + _name.linked_item_id '_atom_site_moment_Fourier_param.phase' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code cycles + +save_ + save_atom_site_moment_fourier_param.phase_symmform _definition.id @@ -1586,6 +2103,25 @@ save_atom_site_moment_fourier_param.sin save_ +save_atom_site_moment_fourier_param.sin_su + _definition.id '_atom_site_moment_Fourier_param.sin_su' + _alias.definition_id '_atom_site_moment_Fourier_param_sin_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_Fourier_param.sin. +; + _name.category_id atom_site_moment_Fourier_param + _name.object_id sin + _name.linked_item_id '_atom_site_moment_Fourier_param.sin' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_fourier_param.sin_symmform _definition.id '_atom_site_moment_Fourier_param.sin_symmform' @@ -1748,6 +2284,25 @@ save_atom_site_moment_special_func.sawtooth_ax save_ +save_atom_site_moment_special_func.sawtooth_ax_su + _definition.id '_atom_site_moment_special_func.sawtooth_ax_su' + _alias.definition_id '_atom_site_moment_special_func_sawtooth_ax_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_special_func.sawtooth_ax. +; + _name.category_id atom_site_moment_special_func + _name.object_id sawtooth_ax + _name.linked_item_id '_atom_site_moment_special_func.sawtooth_ax' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_special_func.sawtooth_ay _definition.id '_atom_site_moment_special_func.sawtooth_ay' @@ -1793,6 +2348,25 @@ save_atom_site_moment_special_func.sawtooth_ay save_ +save_atom_site_moment_special_func.sawtooth_ay_su + _definition.id '_atom_site_moment_special_func.sawtooth_ay_su' + _alias.definition_id '_atom_site_moment_special_func_sawtooth_ay_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_special_func.sawtooth_ay. +; + _name.category_id atom_site_moment_special_func + _name.object_id sawtooth_ay + _name.linked_item_id '_atom_site_moment_special_func.sawtooth_ay' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_special_func.sawtooth_az _definition.id '_atom_site_moment_special_func.sawtooth_az' @@ -1838,6 +2412,25 @@ save_atom_site_moment_special_func.sawtooth_az save_ +save_atom_site_moment_special_func.sawtooth_az_su + _definition.id '_atom_site_moment_special_func.sawtooth_az_su' + _alias.definition_id '_atom_site_moment_special_func_sawtooth_az_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_special_func.sawtooth_az. +; + _name.category_id atom_site_moment_special_func + _name.object_id sawtooth_az + _name.linked_item_id '_atom_site_moment_special_func.sawtooth_az' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_special_func.sawtooth_c _definition.id '_atom_site_moment_special_func.sawtooth_c' @@ -1883,6 +2476,25 @@ save_atom_site_moment_special_func.sawtooth_c save_ +save_atom_site_moment_special_func.sawtooth_c_su + _definition.id '_atom_site_moment_special_func.sawtooth_c_su' + _alias.definition_id '_atom_site_moment_special_func_sawtooth_c_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_special_func.sawtooth_c. +; + _name.category_id atom_site_moment_special_func + _name.object_id sawtooth_c + _name.linked_item_id '_atom_site_moment_special_func.sawtooth_c' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + save_atom_site_moment_special_func.sawtooth_w _definition.id '_atom_site_moment_special_func.sawtooth_w' @@ -1928,6 +2540,26 @@ save_atom_site_moment_special_func.sawtooth_w save_ +save_atom_site_moment_special_func.sawtooth_w_su + _definition.id '_atom_site_moment_special_func.sawtooth_w_su' + _alias.definition_id '_atom_site_moment_special_func_sawtooth_w_su' + _definition.update 2024-03-15 + _description.text +; + Standard uncertainty of _atom_site_moment_special_func.sawtooth_w. +; + _name.category_id atom_site_moment_special_func + _name.object_id sawtooth_w + _name.linked_item_id '_atom_site_moment_special_func.sawtooth_w' + _type.purpose SU + _type.source Related + _type.container Single + _type.contents Real + _units.code Bohr_magnetons + +save_ + + save_ATOM_SITES_MOMENT_FOURIER _definition.id ATOM_SITES_MOMENT_FOURIER @@ -4583,4 +5215,6 @@ save_ all symCIF items yet in coreCIF. Many style changes, typos and spelling errors fixed. + + 2024-03-15 B. McMahon: added *_su terms for Measurand quantities ; From eb401560f3cc938697e359880c467766318243df Mon Sep 17 00:00:00 2001 From: Brian McMahon Date: Fri, 15 Mar 2024 10:36:41 +0000 Subject: [PATCH 2/3] Fixet dictionary style/layout issues --- cif_mag.dic | 52 +++++++++++++++++++++++++++++++++++++++++++++------- 1 file changed, 45 insertions(+), 7 deletions(-) diff --git a/cif_mag.dic b/cif_mag.dic index 3260904..ea85e38 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -290,6 +290,7 @@ save_atom_site_moment.cartn save_ save_atom_site_moment.cartn_su + _definition.id '_atom_site_moment.Cartn_su' _alias.definition_id '_atom_site_moment_Cartn_su' _definition.update 2024-03-15 @@ -330,6 +331,7 @@ save_atom_site_moment.cartn_x save_ save_atom_site_moment.cartn_x_su + _definition.id '_atom_site_moment.Cartn_x_su' _alias.definition_id '_atom_site_moment_Cartn_x_su' _definition.update 2024-03-15 @@ -369,6 +371,7 @@ save_atom_site_moment.cartn_y save_ save_atom_site_moment.cartn_y_su + _definition.id '_atom_site_moment.Cartn_y_su' _alias.definition_id '_atom_site_moment_Cartn_y_su' _definition.update 2024-03-15 @@ -408,6 +411,7 @@ save_atom_site_moment.cartn_z save_ save_atom_site_moment.cartn_z_su + _definition.id '_atom_site_moment.Cartn_z_su' _alias.definition_id '_atom_site_moment_Cartn_z_su' _definition.update 2024-03-15 @@ -455,6 +459,7 @@ save_atom_site_moment.crystalaxis save_ save_atom_site_moment.crystalaxis_su + _definition.id '_atom_site_moment.crystalaxis_su' _alias.definition_id '_atom_site_moment_crystalaxis_su' _definition.update 2024-03-15 @@ -495,6 +500,7 @@ save_atom_site_moment.crystalaxis_x save_ save_atom_site_moment.crystalaxis_x_su + _definition.id '_atom_site_moment.crystalaxis_x_su' _alias.definition_id '_atom_site_moment_crystalaxis_x_su' _definition.update 2024-03-15 @@ -534,6 +540,7 @@ save_atom_site_moment.crystalaxis_y save_ save_atom_site_moment.crystalaxis_y_su + _definition.id '_atom_site_moment.crystalaxis_y_su' _alias.definition_id '_atom_site_moment_crystalaxis_y_su' _definition.update 2024-03-15 @@ -573,6 +580,7 @@ save_atom_site_moment.crystalaxis_z save_ save_atom_site_moment.crystalaxis_z_su + _definition.id '_atom_site_moment.crystalaxis_z_su' _alias.definition_id '_atom_site_moment_crystalaxis_z_su' _definition.update 2024-03-15 @@ -622,6 +630,7 @@ save_atom_site_moment.magnitude save_ save_atom_site_moment.magnitude_su + _definition.id '_atom_site_moment.magnitude_su' _alias.definition_id '_atom_site_moment_magnitude_su' _definition.update 2024-03-15 @@ -723,6 +732,7 @@ save_atom_site_moment.spherical_azimuthal save_ save_atom_site_moment.spherical_azimuthal_su + _definition.id '_atom_site_moment.spherical_azimuthal_su' _alias.definition_id '_atom_site_moment_spherical_azimuthal_su' _definition.update 2024-03-15 @@ -763,6 +773,7 @@ save_atom_site_moment.spherical_modulus save_ save_atom_site_moment.spherical_modulus_su + _definition.id '_atom_site_moment.spherical_modulus_su' _alias.definition_id '_atom_site_moment_spherical_modulus_su' _definition.update 2024-03-15 @@ -805,6 +816,7 @@ save_atom_site_moment.spherical_polar save_ save_atom_site_moment.spherical_polar_su + _definition.id '_atom_site_moment.spherical_polar_su' _alias.definition_id '_atom_site_moment_spherical_polar_su' _definition.update 2024-03-15 @@ -918,6 +930,7 @@ save_atom_site_rotation.cartn save_ save_atom_site_rotation.cartn_su + _definition.id '_atom_site_rotation.Cartn_su' _alias.definition_id '_atom_site_rotation_Cartn_su' _definition.update 2024-03-15 @@ -958,6 +971,7 @@ save_atom_site_rotation.cartn_x save_ save_atom_site_rotation.cartn_x_su + _definition.id '_atom_site_rotation.Cartn_x_su' _alias.definition_id '_atom_site_rotation_Cartn_x_su' _definition.update 2024-03-15 @@ -997,6 +1011,7 @@ save_atom_site_rotation.cartn_y save_ save_atom_site_rotation.cartn_y_su + _definition.id '_atom_site_rotation.Cartn_y_su' _alias.definition_id '_atom_site_rotation_Cartn_y_su' _definition.update 2024-03-15 @@ -1036,6 +1051,7 @@ save_atom_site_rotation.cartn_z save_ save_atom_site_rotation.cartn_z_su + _definition.id '_atom_site_rotation.Cartn_z_su' _alias.definition_id '_atom_site_rotation_Cartn_z_su' _definition.update 2024-03-15 @@ -1083,6 +1099,7 @@ save_atom_site_rotation.crystalaxis save_ save_atom_site_rotation.crystalaxis_su + _definition.id '_atom_site_rotation.crystalaxis_su' _alias.definition_id '_atom_site_rotation_crystalaxis_su' _definition.update 2024-03-15 @@ -1123,6 +1140,7 @@ save_atom_site_rotation.crystalaxis_x save_ save_atom_site_rotation.crystalaxis_x_su + _definition.id '_atom_site_rotation.crystalaxis_x_su' _alias.definition_id '_atom_site_rotation_crystalaxis_x_su' _definition.update 2024-03-15 @@ -1162,6 +1180,7 @@ save_atom_site_rotation.crystalaxis_y save_ save_atom_site_rotation.crystalaxis_y_su + _definition.id '_atom_site_rotation.crystalaxis_y_su' _alias.definition_id '_atom_site_rotation_crystalaxis_y_su' _definition.update 2024-03-15 @@ -1201,6 +1220,7 @@ save_atom_site_rotation.crystalaxis_z save_ save_atom_site_rotation.crystalaxis_z_su + _definition.id '_atom_site_rotation.crystalaxis_z_su' _alias.definition_id '_atom_site_rotation_crystalaxis_z_su' _definition.update 2024-03-15 @@ -1250,6 +1270,7 @@ save_atom_site_rotation.magnitude save_ save_atom_site_rotation.magnitude_su + _definition.id '_atom_site_rotation.magnitude_su' _alias.definition_id '_atom_site_rotation_magnitude_su' _definition.update 2024-03-15 @@ -1353,6 +1374,7 @@ save_atom_site_rotation.spherical_azimuthal save_ save_atom_site_rotation.spherical_azimuthal_su + _definition.id '_atom_site_rotation.spherical_azimuthal_su' _alias.definition_id '_atom_site_rotation_spherical_azimuthal_su' _definition.update 2024-03-15 @@ -1393,6 +1415,7 @@ save_atom_site_rotation.spherical_modulus save_ save_atom_site_rotation.spherical_modulus_su + _definition.id '_atom_site_rotation.spherical_modulus_su' _alias.definition_id '_atom_site_rotation_spherical_modulus_su' _definition.update 2024-03-15 @@ -1435,6 +1458,7 @@ save_atom_site_rotation.spherical_polar save_ save_atom_site_rotation.spherical_polar_su + _definition.id '_atom_site_rotation.spherical_polar_su' _alias.definition_id '_atom_site_rotation_spherical_polar_su' _definition.update 2024-03-15 @@ -1729,6 +1753,7 @@ save_atom_site_moment_fourier_param.cos save_ save_atom_site_moment_fourier_param.cos_su + _definition.id '_atom_site_moment_Fourier_param.cos_su' _alias.definition_id '_atom_site_moment_Fourier_param_cos_su' _definition.update 2024-03-15 @@ -1873,6 +1898,7 @@ save_atom_site_moment_fourier_param.modulus save_ save_atom_site_moment_fourier_param.modulus_su + _definition.id '_atom_site_moment_Fourier_param.modulus_su' _alias.definition_id '_atom_site_moment_Fourier_param_modulus_su' _definition.update 2024-03-15 @@ -1989,6 +2015,7 @@ save_atom_site_moment_fourier_param.phase save_ save_atom_site_moment_fourier_param.phase_su + _definition.id '_atom_site_moment_Fourier_param.phase_su' _alias.definition_id '_atom_site_moment_Fourier_param_phase_su' _definition.update 2024-03-15 @@ -2104,6 +2131,7 @@ save_atom_site_moment_fourier_param.sin save_ save_atom_site_moment_fourier_param.sin_su + _definition.id '_atom_site_moment_Fourier_param.sin_su' _alias.definition_id '_atom_site_moment_Fourier_param_sin_su' _definition.update 2024-03-15 @@ -2285,8 +2313,11 @@ save_atom_site_moment_special_func.sawtooth_ax save_ save_atom_site_moment_special_func.sawtooth_ax_su - _definition.id '_atom_site_moment_special_func.sawtooth_ax_su' - _alias.definition_id '_atom_site_moment_special_func_sawtooth_ax_su' + + _definition.id + '_atom_site_moment_special_func.sawtooth_ax_su' + _alias.definition_id + '_atom_site_moment_special_func_sawtooth_ax_su' _definition.update 2024-03-15 _description.text ; @@ -2349,8 +2380,11 @@ save_atom_site_moment_special_func.sawtooth_ay save_ save_atom_site_moment_special_func.sawtooth_ay_su - _definition.id '_atom_site_moment_special_func.sawtooth_ay_su' - _alias.definition_id '_atom_site_moment_special_func_sawtooth_ay_su' + + _definition.id + '_atom_site_moment_special_func.sawtooth_ay_su' + _alias.definition_id + '_atom_site_moment_special_func_sawtooth_ay_su' _definition.update 2024-03-15 _description.text ; @@ -2413,8 +2447,11 @@ save_atom_site_moment_special_func.sawtooth_az save_ save_atom_site_moment_special_func.sawtooth_az_su - _definition.id '_atom_site_moment_special_func.sawtooth_az_su' - _alias.definition_id '_atom_site_moment_special_func_sawtooth_az_su' + + _definition.id + '_atom_site_moment_special_func.sawtooth_az_su' + _alias.definition_id + '_atom_site_moment_special_func_sawtooth_az_su' _definition.update 2024-03-15 _description.text ; @@ -2477,6 +2514,7 @@ save_atom_site_moment_special_func.sawtooth_c save_ save_atom_site_moment_special_func.sawtooth_c_su + _definition.id '_atom_site_moment_special_func.sawtooth_c_su' _alias.definition_id '_atom_site_moment_special_func_sawtooth_c_su' _definition.update 2024-03-15 @@ -2541,6 +2579,7 @@ save_atom_site_moment_special_func.sawtooth_w save_ save_atom_site_moment_special_func.sawtooth_w_su + _definition.id '_atom_site_moment_special_func.sawtooth_w_su' _alias.definition_id '_atom_site_moment_special_func_sawtooth_w_su' _definition.update 2024-03-15 @@ -2559,7 +2598,6 @@ save_atom_site_moment_special_func.sawtooth_w_su save_ - save_ATOM_SITES_MOMENT_FOURIER _definition.id ATOM_SITES_MOMENT_FOURIER From 3ce794333bae5dca53485bcac26621d7b6a5292e Mon Sep 17 00:00:00 2001 From: Brian McMahon Date: Fri, 15 Mar 2024 12:09:42 +0000 Subject: [PATCH 3/3] Fixed _name.object_id for _su items --- cif_mag.dic | 68 ++++++++++++++++++++++++++--------------------------- 1 file changed, 34 insertions(+), 34 deletions(-) diff --git a/cif_mag.dic b/cif_mag.dic index ea85e38..7e3398e 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -299,7 +299,7 @@ save_atom_site_moment.cartn_su Standard uncertainty of _atom_site_moment.Cartn. ; _name.category_id atom_site_moment - _name.object_id Cartn + _name.object_id Cartn_su _name.linked_item_id '_atom_site_moment.Cartn' _type.purpose SU _type.source Related @@ -340,7 +340,7 @@ save_atom_site_moment.cartn_x_su Standard uncertainty of _atom_site_moment.Cartn_x. ; _name.category_id atom_site_moment - _name.object_id Cartn_x + _name.object_id Cartn_x_su _name.linked_item_id '_atom_site_moment.Cartn_x' _type.purpose SU _type.source Related @@ -380,7 +380,7 @@ save_atom_site_moment.cartn_y_su Standard uncertainty of _atom_site_moment.Cartn_y. ; _name.category_id atom_site_moment - _name.object_id Cartn_y + _name.object_id Cartn_y_su _name.linked_item_id '_atom_site_moment.Cartn_y' _type.purpose SU _type.source Related @@ -420,7 +420,7 @@ save_atom_site_moment.cartn_z_su Standard uncertainty of _atom_site_moment.Cartn_z. ; _name.category_id atom_site_moment - _name.object_id Cartn_z + _name.object_id Cartn_z_su _name.linked_item_id '_atom_site_moment.Cartn_z' _type.purpose SU _type.source Related @@ -468,7 +468,7 @@ save_atom_site_moment.crystalaxis_su Standard uncertainty of _atom_site_moment.crystalaxis. ; _name.category_id atom_site_moment - _name.object_id crystalaxis + _name.object_id crystalaxis_su _name.linked_item_id '_atom_site_moment.crystalaxis' _type.purpose SU _type.source Related @@ -509,7 +509,7 @@ save_atom_site_moment.crystalaxis_x_su Standard uncertainty of _atom_site_moment.crystalaxis_x. ; _name.category_id atom_site_moment - _name.object_id crystalaxis_x + _name.object_id crystalaxis_x_su _name.linked_item_id '_atom_site_moment.crystalaxis_x' _type.purpose SU _type.source Related @@ -549,7 +549,7 @@ save_atom_site_moment.crystalaxis_y_su Standard uncertainty of _atom_site_moment.crystalaxis_y. ; _name.category_id atom_site_moment - _name.object_id crystalaxis_y + _name.object_id crystalaxis_y_su _name.linked_item_id '_atom_site_moment.crystalaxis_y' _type.purpose SU _type.source Related @@ -589,7 +589,7 @@ save_atom_site_moment.crystalaxis_z_su Standard uncertainty of _atom_site_moment.crystalaxis_z. ; _name.category_id atom_site_moment - _name.object_id crystalaxis_z + _name.object_id crystalaxis_z_su _name.linked_item_id '_atom_site_moment.crystalaxis_z' _type.purpose SU _type.source Related @@ -639,7 +639,7 @@ save_atom_site_moment.magnitude_su Standard uncertainty of _atom_site_moment.magnitude. ; _name.category_id atom_site_moment - _name.object_id magnitude + _name.object_id magnitude_su _name.linked_item_id '_atom_site_moment.magnitude' _type.purpose SU _type.source Related @@ -741,7 +741,7 @@ save_atom_site_moment.spherical_azimuthal_su Standard uncertainty of _atom_site_moment.spherical_azimuthal. ; _name.category_id atom_site_moment - _name.object_id spherical_azimuthal + _name.object_id spherical_azimuthal_su _name.linked_item_id '_atom_site_moment.spherical_azimuthal' _type.purpose SU _type.source Related @@ -782,7 +782,7 @@ save_atom_site_moment.spherical_modulus_su Standard uncertainty of _atom_site_moment.spherical_modulus. ; _name.category_id atom_site_moment - _name.object_id spherical_modulus + _name.object_id spherical_modulus_su _name.linked_item_id '_atom_site_moment.spherical_modulus' _type.purpose SU _type.source Related @@ -825,7 +825,7 @@ save_atom_site_moment.spherical_polar_su Standard uncertainty of _atom_site_moment.spherical_polar. ; _name.category_id atom_site_moment - _name.object_id spherical_polar + _name.object_id spherical_polar_su _name.linked_item_id '_atom_site_moment.spherical_polar' _type.purpose SU _type.source Related @@ -939,7 +939,7 @@ save_atom_site_rotation.cartn_su Standard uncertainty of _atom_site_rotation.Cartn. ; _name.category_id atom_site_rotation - _name.object_id Cartn + _name.object_id Cartn_su _name.linked_item_id '_atom_site_rotation.Cartn' _type.purpose SU _type.source Related @@ -980,7 +980,7 @@ save_atom_site_rotation.cartn_x_su Standard uncertainty of _atom_site_rotation.Cartn_x. ; _name.category_id atom_site_rotation - _name.object_id Cartn_x + _name.object_id Cartn_x_su _name.linked_item_id '_atom_site_rotation.Cartn_x' _type.purpose SU _type.source Related @@ -1020,7 +1020,7 @@ save_atom_site_rotation.cartn_y_su Standard uncertainty of _atom_site_rotation.Cartn_y. ; _name.category_id atom_site_rotation - _name.object_id Cartn_y + _name.object_id Cartn_y_su _name.linked_item_id '_atom_site_rotation.Cartn_y' _type.purpose SU _type.source Related @@ -1060,7 +1060,7 @@ save_atom_site_rotation.cartn_z_su Standard uncertainty of _atom_site_rotation.Cartn_z. ; _name.category_id atom_site_rotation - _name.object_id Cartn_z + _name.object_id Cartn_z_su _name.linked_item_id '_atom_site_rotation.Cartn_z' _type.purpose SU _type.source Related @@ -1108,7 +1108,7 @@ save_atom_site_rotation.crystalaxis_su Standard uncertainty of _atom_site_rotation.crystalaxis. ; _name.category_id atom_site_rotation - _name.object_id crystalaxis + _name.object_id crystalaxis_su _name.linked_item_id '_atom_site_rotation.crystalaxis' _type.purpose SU _type.source Related @@ -1149,7 +1149,7 @@ save_atom_site_rotation.crystalaxis_x_su Standard uncertainty of _atom_site_rotation.crystalaxis_x. ; _name.category_id atom_site_rotation - _name.object_id crystalaxis_x + _name.object_id crystalaxis_x_su _name.linked_item_id '_atom_site_rotation.crystalaxis_x' _type.purpose SU _type.source Related @@ -1189,7 +1189,7 @@ save_atom_site_rotation.crystalaxis_y_su Standard uncertainty of _atom_site_rotation.crystalaxis_y. ; _name.category_id atom_site_rotation - _name.object_id crystalaxis_y + _name.object_id crystalaxis_y_su _name.linked_item_id '_atom_site_rotation.crystalaxis_y' _type.purpose SU _type.source Related @@ -1229,7 +1229,7 @@ save_atom_site_rotation.crystalaxis_z_su Standard uncertainty of _atom_site_rotation.crystalaxis_z. ; _name.category_id atom_site_rotation - _name.object_id crystalaxis_z + _name.object_id crystalaxis_z_su _name.linked_item_id '_atom_site_rotation.crystalaxis_z' _type.purpose SU _type.source Related @@ -1279,7 +1279,7 @@ save_atom_site_rotation.magnitude_su Standard uncertainty of _atom_site_rotation.magnitude. ; _name.category_id atom_site_rotation - _name.object_id magnitude + _name.object_id magnitude_su _name.linked_item_id '_atom_site_rotation.magnitude' _type.purpose SU _type.source Related @@ -1383,7 +1383,7 @@ save_atom_site_rotation.spherical_azimuthal_su Standard uncertainty of _atom_site_rotation.spherical_azimuthal. ; _name.category_id atom_site_rotation - _name.object_id spherical_azimuthal + _name.object_id spherical_azimuthal_su _name.linked_item_id '_atom_site_rotation.spherical_azimuthal' _type.purpose SU _type.source Related @@ -1424,7 +1424,7 @@ save_atom_site_rotation.spherical_modulus_su Standard uncertainty of _atom_site_rotation.spherical_modulus. ; _name.category_id atom_site_rotation - _name.object_id spherical_modulus + _name.object_id spherical_modulus_su _name.linked_item_id '_atom_site_rotation.spherical_modulus' _type.purpose SU _type.source Related @@ -1467,7 +1467,7 @@ save_atom_site_rotation.spherical_polar_su Standard uncertainty of _atom_site_rotation.spherical_polar. ; _name.category_id atom_site_rotation - _name.object_id spherical_polar + _name.object_id spherical_polar_su _name.linked_item_id '_atom_site_rotation.spherical_polar' _type.purpose SU _type.source Related @@ -1762,7 +1762,7 @@ save_atom_site_moment_fourier_param.cos_su Standard uncertainty of _atom_site_moment_Fourier_param.cos. ; _name.category_id atom_site_moment_Fourier_param - _name.object_id cos + _name.object_id cos_su _name.linked_item_id '_atom_site_moment_Fourier_param.cos' _type.purpose SU _type.source Related @@ -1907,7 +1907,7 @@ save_atom_site_moment_fourier_param.modulus_su Standard uncertainty of _atom_site_moment_Fourier_param.modulus. ; _name.category_id atom_site_moment_Fourier_param - _name.object_id modulus + _name.object_id modulus_su _name.linked_item_id '_atom_site_moment_Fourier_param.modulus' _type.purpose SU _type.source Related @@ -2024,7 +2024,7 @@ save_atom_site_moment_fourier_param.phase_su Standard uncertainty of _atom_site_moment_Fourier_param.phase. ; _name.category_id atom_site_moment_Fourier_param - _name.object_id phase + _name.object_id phase_su _name.linked_item_id '_atom_site_moment_Fourier_param.phase' _type.purpose SU _type.source Related @@ -2140,7 +2140,7 @@ save_atom_site_moment_fourier_param.sin_su Standard uncertainty of _atom_site_moment_Fourier_param.sin. ; _name.category_id atom_site_moment_Fourier_param - _name.object_id sin + _name.object_id sin_su _name.linked_item_id '_atom_site_moment_Fourier_param.sin' _type.purpose SU _type.source Related @@ -2324,7 +2324,7 @@ save_atom_site_moment_special_func.sawtooth_ax_su Standard uncertainty of _atom_site_moment_special_func.sawtooth_ax. ; _name.category_id atom_site_moment_special_func - _name.object_id sawtooth_ax + _name.object_id sawtooth_ax_su _name.linked_item_id '_atom_site_moment_special_func.sawtooth_ax' _type.purpose SU _type.source Related @@ -2391,7 +2391,7 @@ save_atom_site_moment_special_func.sawtooth_ay_su Standard uncertainty of _atom_site_moment_special_func.sawtooth_ay. ; _name.category_id atom_site_moment_special_func - _name.object_id sawtooth_ay + _name.object_id sawtooth_ay_su _name.linked_item_id '_atom_site_moment_special_func.sawtooth_ay' _type.purpose SU _type.source Related @@ -2458,7 +2458,7 @@ save_atom_site_moment_special_func.sawtooth_az_su Standard uncertainty of _atom_site_moment_special_func.sawtooth_az. ; _name.category_id atom_site_moment_special_func - _name.object_id sawtooth_az + _name.object_id sawtooth_az_su _name.linked_item_id '_atom_site_moment_special_func.sawtooth_az' _type.purpose SU _type.source Related @@ -2523,7 +2523,7 @@ save_atom_site_moment_special_func.sawtooth_c_su Standard uncertainty of _atom_site_moment_special_func.sawtooth_c. ; _name.category_id atom_site_moment_special_func - _name.object_id sawtooth_c + _name.object_id sawtooth_c_su _name.linked_item_id '_atom_site_moment_special_func.sawtooth_c' _type.purpose SU _type.source Related @@ -2588,7 +2588,7 @@ save_atom_site_moment_special_func.sawtooth_w_su Standard uncertainty of _atom_site_moment_special_func.sawtooth_w. ; _name.category_id atom_site_moment_special_func - _name.object_id sawtooth_w + _name.object_id sawtooth_w_su _name.linked_item_id '_atom_site_moment_special_func.sawtooth_w' _type.purpose SU _type.source Related @@ -5215,7 +5215,7 @@ save_ _atom_site_moment.Cartn* items, corrected and improved *_symmform descriptions. Created the atom_site_rotation category. (B Campbell) ; - 0.9.9 2024-03-13 + 0.9.9 2024-03-15 ; Changed several instances of "Jones-Faithful notation" to "Jones faithful notation".