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.number_constraints

Name:
_refine_ls.number_constraints

Aliases:
_refine_ls_number_constraints
_refine.ls_number_constraints

Definition:

   
    The number of constrained (non-refined or dependent) parameters
    in the least-squares process. These may be due to symmetry or any
    other constraint process (e.g. rigid-body refinement). See also
    _atom_site.constraints and _atom_site.refinement_flags_*. A general
    description of constraints may appear in _refine.special_details.

Type: Integer

Units: none

The permitted range is 0 → infinity

Category:
refine_ls

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