Andreas, What is your setup? We have a Cu Anode with an R-Axis IV, and just due to the geometry, the maximum resolution we can collect is around 1.4A. That won't do for small molecules. I think if your resolution is worse than something like 0.85A alarm bells start going off. If you can collect to higher resolution, you can process with XDS and read the XDS_ASCII.HKL (unmerged data) into xprep and run the output through shelxs/l. Olex2 is also pretty helpful for visualization and building.
Cheers, Jens On Mon, 2014-03-24 at 18:04 +0000, Andreas Förster wrote: > Dear all, > > I've been approached by a materials student with a petri dish full of > big, sturdy, salty, yellow crystals. He claims I have the best kit for > single-crystal diffraction on campus. > > I would very much appreciate advice on how to deal with this, anything > in the range from "won't work" to "use software X to analyze data in > space group P-43N" would be welcome. > > Thanks. > > > Andreas > > > >
