Item _refine.ls_hydrogen_treatment


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Description 


              Treatment of hydrogen atoms in the least-squares refinement.

Category

refine

Mandatory Code

no

Data Type Code

ucode

Default Value

undef

Enumeration Values

Item Value Description
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

Alias Names

Alias Name Dictionary Version
_refine_ls_hydrogen_treatment cif_core.dic 2.0.1

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at the
Nucleic Acid Database Project
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
ndbadmin@ndbserver.rutgers.edu