Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_R_I_factor_obs

Name:
'_refine.ls_R_I_factor_obs'

Definition:

   Residual factor R(I) 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, calculated on the estimated
   reflection intensities.

   This is most often calculated in Rietveld refinements against
   powder data, where it is referred to as R~B~ or R~Bragg~.

          sum|I~obs~ - I~calc~|
   R(I) = ---------------------
               sum|I~obs~|

   I~obs~  = the net observed intensities
   I~calc~ = the net calculated intensities

   sum is taken over the specified reflections

Type: float

Mandatory item: no

Alias:
_refine_ls_R_I_factor (cif_core.dic version 2.0.1)
The permitted range is [0.0, infinity)

Category: refine