Core dictionary (coreCIF) version 2.4.5

_atom_site_refinement_flags

Name:
'_atom_site_refinement_flags'

This definition has been superseded and is retained here only for archival purposes. Use instead '_atom_site_refinement_flags_posn' '_atom_site_refinement_flags_adp' '_atom_site_refinement_flags_occupancy'

Definition:

   A concatenated series of single-letter codes which indicate the
   refinement restraints or constraints applied to this site.  This
   item should not be used.  It has been replaced by
   _atom_site_refinement_flags_posn, *_adp and *_occupancy. It is
   retained in this dictionary only to provide compatibility with
   legacy CIFs.

Appears in list containing _atom_site_label

Related items :
The data value must be one of the following:

`.`	no refinement constraints

`S`	special-position constraint on site

`G`	rigid-group refinement of site

`R`	riding-atom site attached to non-riding atom

`D`	distance or angle restraint on site

`T`	thermal displacement constraints

`U`	Uiso or Uij restraint (rigid bond)

`P`	partial occupancy constraint

Type: char

Category: atom_site

		contents
		indexes
		sample pages
		purchase
		CIF dictionaries

Crystallographic Information Framework

Core dictionary (coreCIF) version 2.4.5

_atom_site_refinement_flags

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData