|
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.sample_shape_expression
Name:_refine_ls.sample_shape_expression
Definition:
Formula for the sample thickness distribution when the sample
thickness is considered during dynamical refinement.
Reference: Palatinus, L., Petříček, V. & Corrêa, C. A. (2015). Acta
Cryst. A71, 235-244.
Example:;
F(𝜏) = 1 - ( 1 - 𝜏^2^)^1/2^
;
| The cumulative distribution function in terms of the reduced thickness 𝜏 of a sample treated as a cylinder. 𝜏 = t/t~m~, where t is the thickness at the point illuminated and t~m~ the maximum thickness of the cylinder (i.e. its diameter). |
Type: Text
Category:
refine_ls
