|
INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Definition:
Residual factor R for all reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low.
sum|F~obs~ - F~calc~|
R = ---------------------
sum|F~obs~|
F~obs~ = the observed structure-factor amplitudes
F~calc~ = the calculated structure-factor amplitudes
sum is taken over the specified reflections
Type: float
Mandatory item: no
Alias:Related item: _refine.ls_wR_factor_all (alternate)
Category: refine
Copyright © 2005 International Union of Crystallography