Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

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)

CIF_CORE_HEAD > STRUCTURE > REFINE > REFINE_LS

Index

Core dictionary version 3.3.0

_refine_ls.sample_shape_details

Name:
_refine_ls.sample_shape_details

Definition:

   
    Additional details describing the sample thickness when calculated
    during dynamical refinement where this cannot be defined completely by
    the formula given in _refine_ls.sample_shape_expression.

    Reference: Palatinus, L., Petříček, V. & Corrêa, C. A. (2015). Acta
     Cryst. A71, 235-244.

Type: Text

Category:
refine_ls

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011