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Protein Data Bank exchange dictionary (pdbx) version 1.0521
_refine.ls_wR_factor_R_free
Name:'_refine.ls_wR_factor_R_free'
Definition:
Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. ( sum|w |Y~obs~ - Y~calc~|^2^| )^1/2^ wR = ( ---------------------------- ) ( sum|w Y~obs~^2^| ) Y~obs~ = the observed amplitude specified by _refine.ls_structure_factor_coef Y~calc~ = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight sum is taken over the specified reflections
Type: float
Mandatory item: no
The permitted range is [0.0, infinity)
Related item: _refine.ls_R_factor_R_free (alternate)
Category: refine