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Item _refine.ls_R_Fsqd_factor_obs

Description

              Residual factor R(Fsqd) 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 squares of the
               observed and calculated structure-factor amplitudes.

                         sum|F~obs~^2^ - F~calc~^2^|
               R(Fsqd) = ---------------------------
                                sum|F~obs~^2^|

               F~obs~^2^  = squares of the observed structure-factor amplitudes
               F~calc~^2^ = squares of the calculated structure-factor
                            amplitudes

               sum is taken over the specified reflections

Category

Mandatory Code

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