Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_R_Fsqd_factor_obs

Name:
'_refine.ls_R_Fsqd_factor_obs'

Definition:

   Residual factor R(Fsqd) 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 squares of the
   observed and calculated structure-factor amplitudes.

             sum|F~obs~^2^ - F~calc~^2^|
   R(Fsqd) = ---------------------------
                    sum|F~obs~^2^|

   F~obs~^2^  = squares of the observed structure-factor amplitudes
   F~calc~^2^ = squares of the calculated structure-factor
                amplitudes

   sum is taken over the specified reflections

Type: float

Mandatory item: no

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

Category: refine