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Macromolecular dictionary (mmCIF) version 2.0.09

_refine_ls_shell.R_factor_R_work

Name:
'_refine_ls_shell.R_factor_R_work'

Definition:

   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 and the observation limit
   established by _reflns.observed_criterion, and that were used
   as the working reflections (i.e. were included in the
   refinement) when the refinement included the calculation of
   a 'free' R factor. Details of how reflections were assigned
   to the working and test sets are given in _reflns.R_free_details.

       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

Type: float

Mandatory item: no


The permitted range is [0.0, infinity)

Related item: _refine_ls_shell.wR_factor_R_work (alternate)

Category: refine_ls_shell