Matt, Question 15 at http://cars9.uchicago.edu/ifeffit/FAQ/FeffitModeling is relevant. That said, your are not wrong that the error message that I have posted is a bit of a cop-out. I could have all the data imported from the CIF and trust you to delete all but one of the atoms that partially occupy a site. So, the reasonable request is that such a CIF file be imported and that the situation be recognized and communicated to the user. Of course, what I wrote above suggests a fairly straight forward work-around. A CIF file is a plain text file. It can be opened in any text editor. You, then, could delete all but one lines of atoms that partially occupy a site, save the CIF file, and import that into Artemis. That's perhaps a bit inconvenient, but not exactly rocket science. B PS: And to reiterate Jason's point about attaching the file about which you are asking: http://bruceravel.github.com/demeter/pods/bugs.pod.html On Wednesday, May 23, 2012 06:33:22 PM Matt Frith wrote:

I was attempting to import a .cif file into Artemis to use for a FEFF calculation and I am getting the following error message:

"Atoms is currently unable to use crystal data which has sites of partial occupancy. Sorry."

These .cif files work fine with the old version of Artemis/Atoms. Is there currently a way around this problem, or is this something that will be addresses in later version.

Thank you for your help.

Sincerely,

Matt Frith

-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel