Item _refine_ls_shell.R_factor_R_work

Description

              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 (i.e., included in refinement) reflections when
               refinement included 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

Category

Mandatory Code

Data Type Code

Enumeration Range

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