Hi Marc, After you import it into Artemis, just mark the moly atom as core, and make sure K edge is selected. Since it's a crystal structure, the ATOMS routine in Artemis will figure out the rest correctly. --Scott Calvin Sarah Lawrence College On Aug 15, 2012, at 6:05 PM, Marc Porosoff wrote: Thanks for the help, Scott. I had a look at that file and it uses carbon as the central scattering atom and not Mo. Can I simply change the central atom to Mo or do I need to make other modifications to the file? The data I collected was at the Mo K-edge, 20 keV.