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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_Rogers
Name:_refine_ls.abs_structure_Rogers
Aliases:
_refine_ls_abs_structure_Rogers
_refine.ls_abs_structure_Rogers
Definition:
The measure of absolute structure as defined by Rogers (1981).
The value must lie in the 99.97% Gaussian confidence interval
-1 -3u =< η =< 1 + 3u and a standard uncertainty u must
be supplied. The _enumeration.range of -1.0:1.0 is correctly
interpreted as meaning (-1.0 - 3u) =< η =< (1.0 + 3u).
Reference: Rogers, D. (1981). Acta Cryst. A37, 734-741.
Type: Real
Units: none
The permitted range is -1.0 → 1.0
Category:
refine_ls
