[Ifeffit] problem with Demeter- Artemis/Atoms

Jason Gaudet jason.r.gaudet at gmail.com
Thu May 24 07:29:04 CDT 2012

Attaching the CIF would make it much easier to help.

Is the CIF supposed to have partial occupancy?  (In which case the old
version would only work if it ignored one all but one partial occupancy


On Wed, May 23, 2012 at 6:33 PM, Matt Frith <matt.frith at gmail.com> 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
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