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Modulated and composite structures dictionary (msCIF) version 1.0.1

_refine_ls_mod_hydrogen_treatment

Name:
'_refine_ls_mod_hydrogen_treatment'

Definition:

   Treatment of hydrogen-atom modulation parameters in the
   refinement.


The data value must be one of the following:


refA
refined H-atom displacive modulation parameters only

refxyzA
refined H-atom coordinates and displacive modulation parameters 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

Type: char

Category: refine