Item _refine_ls_shell.R_factor_all


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Description 


              Residual factor R for reflections that satisfy the resolution
               limits established by _refine_ls_shell.d_res_high and
               _refine_ls_shell.d_res_low.

                   sum|F~obs~ - F~calc~|
               R = ---------------------
                        sum|F~obs~|

               F~obs~  = the observed structure factor amplitudes
               F~calc~ = the calculated structure factor amplitudes

               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.wR_factor_all alternate

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