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Modulated structures dictionary (msCIF) version 3.2.1
_refine.ls_mod_hydrogen_treatment
Name:_refine.ls_mod_hydrogen_treatment
Alias:
_refine_ls_mod_hydrogen_treatment
Definition:
Treatment of hydrogen-atom modulation parameters in refinement.
Type: Code
The data value must be one of the following:
refA | refined H-atom displacive modulation parameters only |
refxyzA | refined H-atom coords and displacive modulation params only |
refP | refined H-atom occupational modulation parameters only |
refUP | refined H-atom U and occupational modulation parameters only |
nomod | no modulation of H-atom parameters |
Enumeration default: nomod
Category:
refine