Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine_ls_class.wR_factor_all

Name:
'_refine_ls_class.wR_factor_all'

Definition:

   For each reflection class, the weighted residual factor 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.
   See also the _refine_ls_class.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 reflections of this class.

Type: float

Mandatory item: no

Alias:
_refine_ls_class_wR_factor_all (cif_core.dic version 2.3)
The permitted range is [0.0, infinity)

Category: refine_ls_class