This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.httk.org/defs/v0.1/properties/spacegroups/is_reference_setting
Definition name: is_reference_setting
Property name: is reference setting
Description: Whether cctbx identifies this Hall setting as its reference setting for the space-group type.
This is the reference used by cctbx's change-of-basis machinery; it must not be inferred solely from the setting-specific Hermann-Mauguin symbol.
For the pipeline's selected IT-standard setting, use index_it_number_to_std_spacegroups in the dataset's companion indicies structure.
Type: boolean
Examples:
truefalseJSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/spacegroups/is_reference_setting",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "is reference setting",
"x-optimade-type": "boolean",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "is_reference_setting",
"label": "is_reference_setting_spacegroups"
},
"type": [
"boolean",
"null"
],
"description": "Whether cctbx identifies this Hall setting as its reference setting for the space-group type.\nThis is the reference used by cctbx's change-of-basis machinery; it must not be inferred solely from the setting-specific Hermann-Mauguin symbol.\nFor the pipeline's selected IT-standard setting, use `index_it_number_to_std_spacegroups` in the dataset's companion `indicies` structure.",
"x-optimade-unit": "inapplicable",
"examples": [
true,
false
]
}