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Core dictionary (coreCIF) version 2.4.5




   For each reflection class, the residual factor R(F^2^) calculated
   on the squared amplitudes of the observed and calculated
   structure factors for the reflections judged significantly
   intense (i.e. satisfying the threshold specified by
   _reflns_threshold_expression) and included in the refinement.

   The reflections also satisfy the resolution limits established
   by _refine_ls_class_d_res_high and _refine_ls_class_d_res_low.

              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

   and the sum is taken over the reflections of this class.

Appears in list containing _refine_ls_class_code
The permitted range is 0.0 -> infinity

Type: numb

Category: refine_ls_class