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Item _refine_ls_shell.wR_factor_all

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.

                    ( 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

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_all	alternate

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