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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_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:
**DEPRECATED**
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 It has been replaced by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
