Index

Core dictionary version 3.3.0

_refine_ls.goodness_of_fit_all

Definition:

   
    The least-squares goodness-of-fit parameter S for all reflections after
    the final cycle of refinement. Ideally, account should be taken of
    parameters restrained in the least-squares refinement.

         {  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^), where u = the 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