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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
_refine_ls.wR_factor_ref
Name:_refine_ls.wR_factor_ref
Alias:
_refine_ls_wR_factor_ref
Definition:
Weighted residual factors for reflections included in the refinement
which satisfy the limits specified by _refine_ls.d_res_high and
_refine_ls.d_res_low.
( sum w [ Y(meas) - Y(calc) ]^2^ )^1/2^
wR = ( ------------------------------ )
( sum w Y(meas)^2^ )
Y(meas) = the measured amplitude _refine_ls.structure_factor_coef
Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef
w = the least-squares weight
and the sum is taken over the specified reflections.
Type: Real
Units: none
The permitted range is 0.0 → infinity
Category:
refine_ls
