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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