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Modulated Structures CIF Dictionary version 1.0

_refine_ls_mod_hydrogen_treatment

Name

'_refine_ls_mod_hydrogen_treatment'

Category: refine

Data type: char

Permitted values:

'refA' 'refined H displacive modulation parameters only'
'refxyzA' 'refined H coordinates and displacive modulation parameters only'
'refP' 'refined H occupational modulation parameters only'
'refUP' 'refined H U and occupational modulation parameters only'
'nomod' 'no modulation of H parameters'

Enumeration default: 'nomod'

Definition

    	

   Treatment of hydrogen modulation parameters in the least-squares
   refinement.

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