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Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_hydrogen_treatment

Name:
'_refine.ls_hydrogen_treatment'

Definition:

   Treatment of hydrogen atoms in the least-squares refinement.

Type: ucode

Mandatory item: no

Alias:
_refine_ls_hydrogen_treatment (cif_core.dic version 2.0.1)
The data value must be one of the following:


refall
refined all H-atom parameters

refxyz
refined H-atom coordinates only

refU
refined H-atom U's only

noref
no refinement of H-atom parameters

constr
H-atom parameters constrained

mixed
some constrained, some independent

undef
H-atom parameters not defined

Category: refine