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
|