Item _refine.ls_R_I_factor_obs

Description

              Residual factor R(I) 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, calculated on the estimated
               reflection intensities.

               This is most often calculated in Rietveld refinements of powder
               data, where it is referred to as R~B~ or R~Bragg~.

                      sum|I~obs~ - I~calc~|
               R(I) = ---------------------
                           sum|I~obs~|

               I~obs~  = the net observed intensities 
               I~calc~ = the net calculated intensities

               sum is taken over the specified reflections

Category

Mandatory Code

Data Type Code

Enumeration Range

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