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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_refine_ls.abs_structure_z-score
Name:_refine_ls.abs_structure_z-score
Definition:
The z-score is a measure of confidence in an absolute structure
determination as described by Klar et al. (2023), based on the
method of Le Page et al. (1990). For centrosymmetric structures,
the only permitted value, if the data item is present, is
'inapplicable', represented by '.' . Details on how the
reported z-score value was calculated (for example if it is
a noise-adjusted value or raw value) should be provided in
_refine_ls.abs_structure_details.
References:
Klar, P. B. et al. (2023). Nature Chem. 15, 848-855.
https://www.doi.org/10.1038/s41557-023-01186-1
Le Page, Y., Gabe, E. J. & Gainsford, G. J. (1990). J. Appl. Cryst.
23, 406-411. https://doi.org/10.1107/S0021889890005775
Type: Real
Units: none
Category:
refine_ls