Item _refine_ls_shell.wR_factor_obs


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Description 


              Weighted residual factor wR for reflections that satisfy the
               resolution limits established by _refine_ls_shell.d_res_high
               and _refine_ls_shell.d_res_low and the observation criterion
               established by _reflns.observed_criterion.

                    ( 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

               sum is taken over the specified reflections

Category

refine_ls_shell

Mandatory Code

no

Data Type Code

float

Enumeration Range

Minimum Value Maximum Value
0.0 n.a.
0.0 0.0

Related Items

Related Item Related Function
_refine_ls_shell.R_factor_obs alternate

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