Generating the atomic pair distribution function without instrument contributions

andreasdrejer

Hi,

I recently stumbled upon the paper "Generating the atomic pair distribution function
without instrument or emission profile contributions" (J. Appl. Cryst. (2021). 54, 444–453) that nicely outline how instrumental contributions to a powder pattern can be removed, so that they do not affect the PDF.

In my research group we recently acquired an X-ray diffractometer with a silver source. We experience a lot of axial divergence, which will contribute to the PDF.

Is there any tutorial or similar where the method presented in the paper is outlined?
It would be very nice to see how it actually works out in e.g. an INP file.

Cheers,
Andreas

alancoelho

Hi Andreas

The procedure is possible with TOPAS/TOPAS-Academic Version 7. There's no tutorial as such but chapter 11 of the manual at http://www.topas-academic.net/Technical_Reference.pdf does explain in detail the steps required. If you need help then feel free to contact me.

cheers
alan