Index

Core dictionary version 3.0.14

_refine_ls.goodness_of_fit_ref

Definition:

   
     Least-squares goodness-of-fit parameter S for those reflections
     included in the final cycle of refinement. Account should be
     taken of restrained parameters.
 
          {  sum { w [ Y(meas) - Y(calc) ]^2^ }  }^1/2^
      S = { ------------------------------------ }
          {            Nref - Nparam             }
 
      Y(meas) = the measured coefficients
                (see _refine_ls.structure_factor_coef)
      Y(calc) = the calculated coefficients
                (see _refine_ls.structure_factor_coef)
      w       = the least-squares reflection weight
                [1/(u^2^)]
      u       = standard uncertainty
      Nref   = the number of reflections used in the refinement
      Nparam = the number of refined parameters
      and the sum is taken over the specified reflections

Type: Real

Units: none

Category:
refine_ls