International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

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








































to end of page
to top of page