Core dictionary (coreCIF) version 2.3.1
_refine_ls_hydrogen_treatment
Name:'_refine_ls_hydrogen_treatment'
Definition:
Treatment of hydrogen atoms in the least-squares refinement.
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 |
Enumeration default: undef
Type: char
Category: refine
