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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_reflns_class.wR_factor_all
Name:_reflns_class.wR_factor_all
Alias:
_reflns_class_wR_factor_all
Definition:
For each reflection class, the weighted residual factors for all
reflections included in the refinement. The reflections also
satisfy the resolution limits established by
_reflns_class.d_res_high and _reflns_class.d_res_low.
( sum w [ Y(meas) - Y(calc) ]^2^ )^1/2^
wR = ( ------------------------------- )
( sum w Y(meas)^2^ )
Y(meas) = the measured amplitudes specified by
_refine_ls.structure_factor_coef
Y(calc) = the calculated amplitudes specified by
_refine_ls.structure_factor_coef
w = the least-squares weights
and the sum is taken over the reflections of this class.
Type: Real
Units: none
The permitted range is 0.0 → infinity
Category:
reflns_class