Index

Core dictionary version 3.3.0

_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
                          amplitudes
          F(calc)^2^    = squares of the calculated structure-factor
                          amplitudes
          and the sum is taken over the specified reflections.

Type: Real

Units: none

Category:
refine_ls