[phenixbb] Cross Validation Reflection Set question

Pavel Afonine pafonine at lbl.gov
Sun Nov 6 18:59:19 PST 2011


> Open question,
> Is this 'step wise resolution increase' still necessary in the days of maximum likelihood refinement?

it not really open question. If ML target was that powerful you could do 
rigid body refinement using all reflections without the need of cutting 
off high resolution. It's not the case however, as we show in

Automatic multiple-zone rigid-body refinement with a large convergence 
radius. P. V. Afonine, R. W. Grosse-Kunstleve, A. Urzhumtsev and P. D. 
Adams J. Appl. Cryst. 42, 607-615 (2009).

STIR may be necessary for example in case of "very poor" starting model 
and "very high" resolution data, although the whole procedure should 
probably be more complex: for example, model parametrization should 
change as more higher resolution data is added.


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