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On Friday 29 December 2006 13:36, Miguel Ortiz-Lombardia wrote: > I have a related question: how this procedure (thin resolution > shells) compares to select a subset of reflections for the test set > and then, knowing the NCS operators, extend the test set by including > their NCS-related reflections? Other than special cases, such as the case of a 2-fold NCS parallel to a crystallographic 6(1) screw already mentioned, the NCS operator does not map integral hkl values onto other integral hkl values. Thus the contamination of one particular Rfree reflection is due to contributions from multiple Rwork reflections in the shell.
