Index

Core dictionary version 3.0.14

_refine_ls.R_Fsqd_factor

Definition:

   
     Residual factor R(Fsqd), calculated on the squared amplitudes of the
     measured and calculated structure factors, for significantly intense
     reflections (satisfying _reflns.threshold_expression) and included in
     the refinement. The reflections also satisfy the resolution limits
     specified by _refine_ls.d_res_high and _refine_ls.d_res_low.
 
                      sum | F(meas_gt)^2^ - F(calc)^2^ |
           R(Fsqd) = ------------------------------------
                              sum F(meas_gt)^2^
 
           F(meas_gt)^2^ = squares of the 'observed' structure-factor
           F(calc)^2^    = squares of the calculated structure-factor
           and the sum is taken over the specified reflections

Type: Real

Units: none

Category:
refine_ls