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Add _atom_type.mass_number #400

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merged 4 commits into from
May 31, 2023
Merged

Add _atom_type.mass_number #400

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c146ea3
add `_atom_type.mass_number`
rowlesmr May 22, 2023
6478f92
alter wording of definition
rowlesmr May 23, 2023
25bf3cc
remove default value
rowlesmr May 28, 2023
07e34b8
Minor fix to wording
jamesrhester May 31, 2023
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28 changes: 26 additions & 2 deletions cif_core.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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'
Expand Down Expand Up @@ -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.
;