diff --git a/cif_core.dic b/cif_core.dic index 6df21f6..3eefe5b 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -10,7 +10,7 @@ data_CORE_DIC _dictionary.title CORE_DIC _dictionary.class Instance _dictionary.version 3.3.0 - _dictionary.date 2023-05-14 + _dictionary.date 2023-05-22 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic _dictionary.ddl_conformance 4.1.0 @@ -23963,6 +23963,28 @@ save_atom_type.key save_ +save_atom_type.mass_number + + _definition.id '_atom_type.mass_number' + _definition.update 2023-05-22 + _description.text +; + Mass number of this atom type. + + Used to denote a specific isotope. Special value '.' indicates + that the element is present in natural isotopic abundance. +; + _name.category_id atom_type + _name.object_id mass_number + _type.purpose Number + _type.source Assigned + _type.container Single + _type.contents Integer + _enumeration.range 1: + _units.code none + +save_ + save_atom_type.number_in_cell _definition.id '_atom_type.number_in_cell' @@ -27143,11 +27165,13 @@ save_ Changed the purpose of the _diffrn_radiation_wavelength.id data item from 'Encode' to 'Key'. ; - 3.3.0 2023-05-14 + 3.3.0 2023-05-22 ; # Please update the date above and describe the change below until # ready for the next release Rewrote the _atom_type.radius_contact evaluation method as a definition method. + + Added _atom_type.mass_number to record specific isotope identities. ;