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John Bruning wrote: > > Hi, > > I have some questions regarding SAD. Can one use Scaleit to initially > analyze anomolous data when doing SAD (ie to get the scaleit.summary > statistics)? How does one properly prepare the flags and mtz file for > SAD (ie what program to convert the sca file to mtz and properly; I am > coming from scalepack where I used the anomalous button clicked on)? > > Thanks > > 1) To get an mtz file just convert merged data - it will output h k l Fmean SIGFmean Dano SigDano F+ SigF+ F- SIGF- Imean etc Then you can run scaleit giving FP and FPH1=Fmean DPH1=DANO etc From the GUI say you also want to include anomalous data for each derivative That allos you to inspect the diffs between F+ and F- Eleanor