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Core CIF Dictionary version 2.3

_refine_ls_class_R_factor_

Names

'_refine_ls_class_R_factor_all' '_refine_ls_class_R_factor_gt'

Category: refine_ls_class

Data type: numb

Must appear in a looped list containing '_refine_ls_class_code'

Enumeration range: 0.0 -> infinity

Definition

    	
   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
   _refine_ls_class_d_res_high and _refine_ls_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
   _refine_ls_class_wR_factor_all definitions.
 


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