Item _refine.ls_R_factor_all

Description

              Residual factor R for all reflections that satisfy the resolution
               limits established by _refine.ls_d_res_high and
               _refine.ls_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

Local Description

Residual factor R for all reflections that satisfy the limits 
established by high and low resolution cut-offs. 

It includes reflections which do not satisfy the sigma cutoff criteria 
as well as those set aside for cross-validation in a "free" R-factor set.

Category

Local Item Examples

Example 1:

0.247

Example 2:

0.184

Mandatory Code

Data Type Code

Enumeration Range

Alias Names

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