PDF refinement of isotope substituted samples

[Sawan Patel]

Hello,

I would kindly like to ask if there is an option to include the isotope substituted phase to refine the neutron data. We collected 7Li, 11B and 2H enriched samples and I am in the process of analyzing the data. However I don't see an option to include the isotope in the PDFgui software. Is there an option to include these isotopes rather than the natural abundance?

Thanks,

Sawankumar Patel

[Simon Billinge]

Thanks for the question Sawankumar.  This is discussed a bit already in diffpy-users (search for "isotope").   Most common isotopes are there and you can access them with the pattern 16-O (i.e., that would return the oxygen-16 isotope.

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Simon Billinge

Professor, Columbia University

Physicist, Brookhaven National Laboratory