[IUCr Home Page] [CIF Home Page]

Core CIF Dictionary version 2.3




Category: refine

Data type: numb

Related item: '_refine_ls_wR_factor_obs'
Related function: alternate

Enumeration range: 0.0 -> infinity


   Weighted residual factors for significantly intense reflections
   (satisfying _reflns_threshold_expression) 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_

        ( sum w [ Y(obs) - Y(calc) ]^2^  )^1/2^
   wR = ( ------------------------------ )
        (         sum w Y(obs)^2^       )

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

   and the sum is taken over the specified reflections

Copyright © 2003 International Union of Crystallography

IUCr Webmaster