Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_R_factor_R_free

Name:
'_refine.ls_R_factor_R_free'

Definition:

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


The permitted range is [0.0, infinity)

Related items: _refine.ls_wR_factor_R_free (alternate)
_refine.ls_R_factor_R_free_error (associated_error)

Category: refine