Macromolecular dictionary (mmCIF) version 2.0.09
_refine.ls_hydrogen_treatment
Name:'_refine.ls_hydrogen_treatment'
Definition:
Treatment of hydrogen atoms in the least-squares refinement.
Type: ucode
Mandatory item: no
Alias:_refine_ls_hydrogen_treatment (cif_core.dic version 2.0.1)
The data value must be one of the following:
refall | refined all H-atom parameters |
refxyz | refined H-atom coordinates only |
refU | refined H-atom U's only |
noref | no refinement of H-atom parameters |
constr | H-atom parameters constrained |
mixed | some constrained, some independent |
undef | H-atom parameters not defined |
Category: refine