Index

Core dictionary version 3.3.0

_refine_ls.R_factor_all

Definition:

   
    Residual factor for all reflections satisfying the resolution limits
    specified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is
    the conventional R factor. See also wR factor definitions.

              sum | F(meas) - F(calc) |
          R = ------------------------
                    sum | F(meas) |

          F(meas) = the measured structure-factor amplitudes
          F(calc) = the calculated structure-factor amplitudes
          and the sum is taken over the specified reflections.

Type: Real

Units: none

Evaluation method:

    sumFdiff  =   0.
    sumFmeas  =   0.
    Loop r  as  refln  {
                  sumFdiff  +=   Abs(r.F_calc - r.F_meas)
                  sumFmeas  +=   Abs(r.F_meas)
                       }
        _refine_ls.R_factor_all  =   sumFdiff / sumFmeas

Category:
refine_ls