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Core CIF Dictionary version 2.3

_refine_ls_wR_factor_ref

Name

'_refine_ls_wR_factor_ref'

Category: refine

Data type: numb

Enumeration range: 0.0 -> infinity

Definition

    	
   Weighted residual factors for all reflections included in the
   refinement.  The reflections also satisfy the resolution
   limits established by _refine_ls_d_res_high and
   _refine_ls_d_res_low.  See also the _refine_ls_R_factor_
   definitions.

        ( 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 specified reflections
 


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