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Item _atom_site.refinement_flags


Description 

           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  It has been replaced by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.

Category

atom_site

Mandatory Code

no

Data Type Code

code

Enumeration Values

Item Value Description
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

Alias Names

Alias Name Dictionary Version
_atom_site_refinement_flags cif_core.dic 2.3

Related Items

Related Item Related Function
_atom_site.refinement_flags_posn replaces
_atom_site.refinement_flags_adp replaces
_atom_site.refinement_flags_occupancy replaces

 

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