Index

Core dictionary version 3.0.14

_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