Index

Core dictionary (coreCIF) version 2.4.5

_refine_ls_wR_factor_obs

Name:
'_refine_ls_wR_factor_obs'

This definition has been superseded and is retained here only for archival purposes. Use instead '_refine_ls_wR_factor_gt'

Definition:

   Weighted residual factors for the reflections classified as
   'observed' (see _reflns_observed_criterion) and 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


The permitted range is 0.0 -> infinity

Related item:

Type: numb

Category: refine