Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category REFINE_LS_CLASS

Name:
'_refine_ls_class_[]'

Definition:

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

Example:

Example 1 - example for a modulated structure extracted 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'


Type: null

Category: category_overview


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.