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Core CIF Dictionary version 2.3



'_reflns_class_R_factor_all' '_reflns_class_R_factor_gt'

Category: reflns_class

Data type: numb

Must appear in a looped list containing '_reflns_class_code'

Enumeration range: 0.0 -> infinity


   For each reflection class, the residual factors for all
   reflections, and for significantly intense reflections (see
   _reflns_threshold_expression) and included in the refinement.
   The reflections also satisfy the resolution limits established by
   _reflns_class_d_res_high and _reflns_class_d_res_low.
   This is the conventional R factor.

       sum | F(obs) - F(calc) |
   R = ------------------------
             sum | F(obs) |

   F(obs)  = the observed structure-factor amplitudes
   F(calc) = the calculated structure-factor amplitudes

   and the sum is taken over the reflections of this class. See also
   _reflns_class_wR_factor_all definitions.

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