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TARGet <R-FACTOR,CORR-1,CORR-2> :

Release 0.1 of QS only supported one target function, namely the R-factor. Following a suggestion by one of the referees of the QS-related paper, support has been added for two additional target functions (other than the R-factor). These are 1.0 - Corr(Fo, Fc) and 1.0 - Corr(Fo2, Fc2) where Corr() is the linear correlation coefficient between the respective sets. The target function for the minimisation is chosen with the TARGet keyword, with the meaning of the three possible arguments being obvious.



NMG, January 2005