Core dictionary version 3.0.14
_atom_site.refinement_flags
This dataname has been deprecated. Use instead:
_atom_site.refinement_flags_posn
_atom_site.refinement_flags_adp
_atom_site.refinement_flags_occupancy
Name:_atom_site.refinement_flags_posn
_atom_site.refinement_flags_adp
_atom_site.refinement_flags_occupancy
_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 It has been replaced by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


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