Data Item _refine.ls_hydrogen_treatment

General

Item name
_refine.ls_hydrogen_treatment
Category name
refine
Attribute name
ls_hydrogen_treatment
Required in PDB entries
no
Used in current PDB entries
Yes, in about 0.001 % of entries

Item Description

Treatment of hydrogen atoms in the least-squares refinement.

Data Type

Data type code
ucode
Data type detail
code item types/single words (case insensitive) ...
Primitive data type code
uchar
Regular expression
[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*

Controlled Vocabulary

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

Controlled Vocabulary at Deposition

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

Aliases

Alias Item Name Dictionary Name Dictionary Version
_refine_ls_hydrogen_treatment cif_core.dic 2.0.1