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Protein Data Bank exchange dictionary (pdbx) version 1.0521




   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 test reflections (i.e. were excluded from 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 = ---------------------

   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 items: _refine_ls_shell.wR_factor_R_free (alternate)
_refine_ls_shell.R_factor_R_free_error (associated_error)

Category: refine_ls_shell