Crystallographic Information Framework

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Core dictionary version 3.0.14

_atom_site.refinement_flags

Name:
_atom_site.refinement_flags

Alias:
_atom_site_refinement_flags

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 It has been replaced by 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.

Type: Text


The data value must be one of the following:


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

.
no refinement constraints

Category:
atom_site