Next: USEValues Elimit :
Up: GROUP 4 : Reflection
Previous: RANDom_select f :
Contents
From the set of reflections that satisfy all selection
criteria, chose randomly a fraction f and use it as a test set (ie for the calculation
of the free R value). Because the number of reflections used for the minimisation has to
be relatively small (to make the program practical), the free R value will be calculated
over a very small number of reflections. This has two consequences : (i) the standard
uncertainty (due to statistical fluctuations) of the free R value is large, and,
(ii) because the number of reflections is small, we can not independently scale Fos to
Fcs for the test set (which may bias the Rfree ?). The take-home message is that
the free R values produced by QS should not be taken at face value.
NMG, January 2005