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draft_new_items.dic
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#\#CIF_2.0
##############################################################################
# Some possible additions to the initial cif_ed.dic for electron diffraction.#
# These are tentative new items to extend cif_img.dic for raw data. #
##############################################################################
data_DRAFT_NEW_ITEMS
_dictionary.title DRAFT_NEW_ITEMS
_dictionary.class Instance
_dictionary.version 0.0.10
_dictionary.date 2025-03-24
_dictionary.uri
https://raw.githubusercontent.com/COMCIFS/cif_ed/1.0.0/draft_new_items.dic
_dictionary.ddl_conformance 4.2.0
_dictionary.namespace CifCore
_description.text
;
Development version of dictionary extension to imgCIF with
requirements arising from electron diffraction.
;
loop_
_dictionary_author.id
_dictionary_author.id_ORCID
_dictionary_author.name
_dictionary_author.email
1 0000-0002-8987-8164 'Palatinus, Lukáš' [email protected]
2 0000-0002-7367-4343 'Santucci, Marco' [email protected]
3 0000-0002-9042-8603 'Suresh, Ashwin' [email protected]
save_DRAFT_NEW_ITEMS_HEAD
_definition.id DRAFT_NEW_ITEMS_HEAD
_definition.scope Category
_definition.class Head
_definition.update 2024-07-22
_description.text
;
This category is the Head category for an extension dictionary used for
crystallographic structure determination using electron diffraction.
;
_name.category_id DRAFT_NEW_ITEMS
_name.object_id DRAFT_NEW_ITEMS_HEAD
_import.get
[
{'dupl':Ignore
'file':https://github.com/COMCIFS/imgCIF/blob/master/cif_img.dic
'mode':Full 'save':HEAD}
]
save_
save_diffrn_detector.distance_sample
_definition.id '_diffrn_detector.distance_sample'
_definition.update 2025-03-24
_description.text
;
THIS DEFINITION WAS ORIGINALLY SUGGESTED FOR cif_ed.dic BUT TRANSFERRED
HERE AS A PLACEHOLDER FOLLOWING QUERY FROM JAMES HESTER FOR CLARIFICATION
(https://github.com/COMCIFS/cif_core/pull/514). CURRENTLY RETAINED AS A
REMINDER BUT A BETTER TREATMENT OF INSTRUMENT GEOMETRY MAY BE PREFERRED.
IN ED THIS MAY BE AN 'EFFECTIVE' DISTANCE CONTROLLED BY MICROSCOPE OPTICS.
Mean distance in millimetres from the diffracting sample
to the detector. Appropriate for instrument geometries where
the detector is fixed or maintained at a constant distance
from the diffraction target. More general geometries and
provision for adjusting the instrument geometries between or
during scans are handled by the imgCIF dictionary.
;
_name.category_id diffrn_detector
_name.object_id distance_sample
_type.purpose Number
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.range 0.0:
_units.code millimetres
save_
save_diffrn_detector.ed_calibration_constant
_definition.id '_diffrn_detector.ed_calibration_constant'
_definition.update 2025-03-24
_description.text
;
THIS DEFINITION WAS ORIGINALLY SUGGESTED FOR cif_ed.dic BUT TRANSFERRED
HERE AS A PLACEHOLDER ALONGSIDE _diffrn_detector.distance_sample UNTIL
A BETTER REFERENCE IS FOUND OR MORE SPECIFIC INFORMATION IS GIVEN ABOUT
HOW THE INSTRUMENT IS CALIBRATED AND WHAT ITS EFFECT IS.
The electron diffraction camera constant calibration factor.
Ref: Millette, J. (1987). The Microscope, 35, 107-117.
;
_name.category_id diffrn_detector
_name.object_id ed_calibration_constant
_type.purpose Number
_type.source Assigned
_type.container Single
_type.contents Real
_enumeration.range 0.0:
_units.code reciprocal_angstroms_per_pixel
save_
save_diffrn_scan_frame.precession_angle
_definition.id '_diffrn_scan_frame.precession_angle'
_definition.update 2024-07-15
_description.text
;
For this frame, the angle at the sample of tilt from the normal
direction of a radiation beam moved in a precessional scan.
;
_name.category_id diffrn_scan_frame
_name.object_id precession_angle
_type.purpose Measurand
_type.source Recorded
_type.container Single
_type.contents Real
_enumeration.range 0.0:
_units.code degrees
save_
save_diffrn_scan_frame.precession_angle_su
_definition.id '_diffrn_scan_frame.precession_angle_su'
_definition.update 2024-07-15
_description.text
;
Standard uncertainty of _diffrn_scan_frame.precession_angle.
;
_name.category_id diffrn_scan_frame
_name.object_id precession_angle_su
_name.linked_item_id '_diffrn_scan_frame.precession_angle'
_type.purpose SU
_type.source Related
_type.container Single
_type.contents Real
_units.code degrees
save_
save_diffrn_scan_frame.scale_factor
_definition.id '_diffrn_scan_frame.scale_factor'
_definition.update 2024-07-15
_description.text
;
The scale factor for this frame.
;
_name.category_id diffrn_scan_frame
_name.object_id scale_factor
_type.purpose Measurand
_type.source Derived
_type.container Single
_type.contents Real
_enumeration.range 0.0:
_units.code none
save_
save_diffrn_scan_frame.scale_factor_su
_definition.id '_diffrn_scan_frame.scale_factor_su'
_definition.update 2024-07-15
_description.text
;
Standard uncertainty of _diffrn_scan_frame.scale_factor.
;
_name.category_id diffrn_scan_frame
_name.object_id scale_factor_su
_name.linked_item_id '_diffrn_scan_frame.scale_factor'
_type.purpose SU
_type.source Related
_type.container Single
_type.contents Real
_units.code none
save_
loop_
_dictionary_audit.version
_dictionary_audit.date
_dictionary_audit.revision
0.0.10 2025-03-24
;
Initial draft dictionary.
Includes candidate items for cif_ed.dic that were thought better
handled in a cif_img.dic context or else elaborated with more
precise definitions and indications where relevant only to
electron diffraction.
;