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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Definition:
For each reflection class, the residual factor for significantly
intense reflections (see _reflns.threshold_expression) included
in the refinement.
The reflections also satisfy the resolution limits established by
_reflns_class.d_res_high and _reflns_class.d_res_low.
This is the conventional R factor. See also the
definition of _reflns_class.wR_factor_all.
sum | F(obs) - F(calc) |
R = ------------------------
sum | F(obs) |
F(obs) = the observed structure-factor amplitudes
F(calc) = the calculated structure-factor amplitudes
and the sum is taken over the reflections of this class.
Type: float
Mandatory item: no
Alias:Category: reflns_class
Copyright © 2005 International Union of Crystallography