Data Item _refine.ls_extinction_method

General

Item name
_refine.ls_extinction_method
Category name
refine
Attribute name
ls_extinction_method
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

A description of the extinction correction method applied with the data item _refine.ls_extinction_coef. This description should include information about the correction method, either 'Becker-Coppens' or 'Zachariasen' The latter is sometimes referred to as the 'Larson' method even though it employs Zachariasen's formula. The Becker-Coppens procedure is referred to as 'type 1' when correcting secondary extinction dominated by the mosaic spread; as 'type 2' when secondary extinction is dominated by particle size and includes a primary extinction component; and as 'mixed' when there is a mixture of types 1 and 2. For the Becker-Coppens method it is also necessary to set the mosaic distribution as either 'Gaussian' or 'Lorentzian'; and the nature of the extinction as 'isotropic' or 'anisotropic'. Note that if either the 'mixed' or 'anisotropic' corrections are applied the multiple coefficients cannot be contained in *_extinction_coef and must be listed in _refine.details. Ref: Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-153. Zachariasen, W. H. (1967). Acta Cryst. 23, 558- 564. Larson, A. C. (1967). Acta Cryst. 23, 664-665.

Item Example

 B-C type 2 Gaussian isotropic

Data Type

Data type code
text
Data type detail
text item types / multi-line text ...
Primitive data type code
char
Regular expression
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*

Aliases

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