diff --git a/cif_core.dic b/cif_core.dic index 40afd02..bdf7312 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -11,7 +11,7 @@ data_CIF_CORE _dictionary.title CIF_CORE _dictionary.class Instance _dictionary.version 3.3.0 - _dictionary.date 2026-07-20 + _dictionary.date 2026-09-01 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic _dictionary.ddl_conformance 4.2.0 @@ -8546,12 +8546,11 @@ save_ save_reflns_shell.d_res_limits _definition.id '_reflns_shell.d_res_limits' - _definition.update 2012-11-26 + _definition.update 2026-08-20 _description.text ; Resolution for the reflections in this shell stored as - the list of lowest and highest values. This is the - category key. + the list of lowest and highest values. ; _name.category_id reflns_shell _name.object_id d_res_limits @@ -12126,10 +12125,10 @@ save_ save_space_group.multiplicity _definition.id '_space_group.multiplicity' - _definition.update 2021-03-01 + _definition.update 2026-09-01 _description.text ; - Number of unique symmetry elements in the space group. + Number of unique symmetry operations in the space group. ; _name.category_id space_group _name.object_id multiplicity @@ -26336,6 +26335,8 @@ save_atom_type_scat.exponential_polynomial_coefs where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength of the incident radiation in angstroms. + + Ref: Thorkildsen, G. (2023). Acta Cryst. A79, 318–330. ; _name.category_id atom_type_scat _name.object_id exponential_polynomial_coefs @@ -26426,6 +26427,8 @@ save_atom_type_scat.gaussian_coefs where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength of the incident radiation in angstroms. + + Ref: Thorkildsen, G. (2023). Acta Cryst. A79, 318–330. ; _name.category_id atom_type_scat _name.object_id Gaussian_coefs @@ -29514,7 +29517,7 @@ save_ Changed the purpose of the _diffrn_radiation_wavelength.id data item from 'Encode' to 'Key'. ; - 3.3.0 2026-07-20 + 3.3.0 2026-09-01 ; Expanded available form factor parameterisations, added support for isotopes and symmforms for atom sites. More details can be added @@ -29594,4 +29597,11 @@ save_ _space_group.transform_Qq_xyz from symCIF to SPACE_GROUP. Remove _exptl_crystal.id as it is present in multiblock dictionary. + + Changed 'elements' to 'operations' in _space_group.multiplicity. + + _reflns_shell.d_res_limits is not the key to the category. + + Added Thorkildsen reference to _atom_type_scat.Gaussian_coefs + and _atom_type_scat.exponential_polynomial_coefs. ;