Dear Diffpy users
I am a PhD working in the UK on disorder materials. I am currently doing some fitting to PDF data using your PDFgui program.
The sample that I am studying is the pyrochlore Pr2ScNbO7. It has the following occupancy
A-site 100% Pr
B-site 50% Sc and 50% Nb
O-site 100 % O
I wanted to know how, if possible, to extract the Sc-Nb correlation. So if I have a Sc at a B-site what is the probability that the nearest neighbour B-site will be a Sc or a Nb. Is there an extra routine, like a .py program, that I need to write to extract this information? Or are there any inbuilt PDFgui routines that can do this.
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