Index

Core dictionary (coreCIF) version 2.4.3

_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This definition has been superseded and is retained here only for archival purposes.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  It has been replaced by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