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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Definition:
Treatment of hydrogen atoms in the least-squares refinement.
Type: ucode
Mandatory item: no
Alias:|
refall | refined all H-atom parameters |
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refxyz | refined H-atom coordinates only |
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refU | refined H-atom U's only |
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noref | no refinement of H-atom parameters |
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constr | H-atom parameters constrained |
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mixed | some constrained, some independent |
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undef | H-atom parameters not defined |
Category: refine
Copyright © 2005 International Union of Crystallography