Macromolecular dictionary (mmCIF) version 2.0.09
_refine_ls_shell.R_factor_R_work
Name:'_refine_ls_shell.R_factor_R_work'
Definition:
Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in 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|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
The permitted range is [0.0, infinity)
Related item: _refine_ls_shell.wR_factor_R_work (alternate)
Category: refine_ls_shell