Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category REFINE_LS_CLASS

Name:
'refine_ls_class'

Description:

   Data items in the REFINE_LS_CLASS category record details
   about the reflections used for the structure refinement
   for each reflection class separately.

Example:

Example 1 - data for a modulated structure from van Smaalen [J. Phys. Condens. Matter (1991), 3, 1247-1263]. 
 
    loop_
        _refine_ls_class.R_factor_gt
        _refine_ls_class.code
                0.057    'Main'
                0.074    'Com'
                0.064    'NbRefls'
                0.046    'LaRefls'
                0.112    'Sat1'
                0.177    'Sat2'


Category key:
    _refine_ls_class.code

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.