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 It has been replaced by _atom_site.refinement_flags_posn, *_adp and *_occupancy.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 old CIFs.
Type: code
Mandatory item: no
Alias:Related items: _atom_site.refinement_flags_posn (replaces)
_atom_site.refinement_flags_adp (replaces)
_atom_site.refinement_flags_occupancy (replaces)
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 |
Category: atom_site
Copyright © 2005 International Union of Crystallography