Core dictionary (coreCIF) version 2.3.1
_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This definition has been superseded and is retained here only for archival purposes.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 It has been replaced by _atom_site_refinement_flags_posn, *_adp and *_occupancy.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
