Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine_hist.R_factor_R_free

Definition:

   Residual factor R for reflections that satisfy the resolution
   limits established by _refine_hist.d_res_high and
   _refine_hist.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 = ---------------------
            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

Category: refine_hist