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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