[IUCr Home Page] [CIF Home Page]

Core CIF Dictionary version 2.3

_refine_ls_class_wR_factor_all

Name

'_refine_ls_class_wR_factor_all'

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 weighted residual factors for all
   reflections 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 w [ Y(obs) - Y(calc) ]^2^  )^1/2^
   wR = ( ------------------------------ )
        (         sum w Y(obs)^2^       )

   Y(obs)  = the observed amplitude specified by
             _refine_ls_structure_factor_coef
   Y(calc) = the calculated amplitude specified by
             _refine_ls_structure_factor_coef
   w       = the least-squares weight

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


Copyright © 2003 International Union of Crystallography

IUCr Webmaster