Treatment of hydrogen atoms in the least-squares refinement.
Item Value | Description |
---|---|
refall | refined all H parameters |
refxyz | refined H coordinates only |
refU | refined H U only |
noref | no refinement of H parameters |
constr | H parameters constrained |
mixed | some constrained, some independent |
undef | H-atom parameters not defined |
Alias Name | Dictionary | Version |
---|---|---|
_refine_ls_hydrogen_treatment | cif_core.dic | 2.0.1 |