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Core CIF Dictionary version 2.3




Category: refine

Data type: char

Permitted values:

refall 'refined all H parameters'
refxyz 'refined H coordinates only'
refU 'refined H U only'
noref 'no refinement of H parameters'
constr 'H parameters constrained'
mixed 'some constrained, some independent'
undef 'H-atom parameters not defined'

Enumeration default: undef


Treatment of hydrogen atoms in the least-squares refinement.

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