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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
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'
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Mandatory category: no
Copyright © 2005 International Union of Crystallography