[o-info] refinement targets: max likelihood vs cryst. residual

From: vineet (vineet@nii.res.in)
Date: Thu Dec 21 2006 - 23:25:53 CST


hi
i have started crystallographic refinement very recently using CNS. In
minimize.inp there are options for refinement target: 
  mlf: maximum likelihood target using amplitudes
         mli: maximum likelihood target using intensities
        mlhl: maximum likelihood target using amplitudes
              and phase probability distribution
    residual: standard crystallographic residual
      vector: vector residual
       mixed: (1-fom)*residual + fom*vector
        e2e2: correlation coefficient using normalized E^2
        e1e1: correlation coefficient using normalized E
        f2f2: correlation coefficient using F^2
        f1f1: correlation coefficient using F

i have been using mlf for refinement, but once i have used "residual" n found
a good fall in Rfree and Rcrys.i would b thankful if u can comment on where
people use standard crystallographic residual as refinement target n how the
refinement using maximum likelihood will b different from refinement using
standard crystallographic residual.
Thanx in advance
vineet gaur

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