PDF Baseline Inconsistency
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Ardalan Hayatifar
Jun 25, 2024, 12:24:03 PM (7 days ago) Jun 25
to diffpy-users
I am processing some PDF data and have a question. My end goal is to look at differential PDFs and compare peak heights between experiments.
From what I’ve gathered, dPDF’s are supposed to center around zero. But some of ours start low, increase, then center around zero, with a break point around 3 A. Its like they have two sections of the data: 1) range from 1-3 A, and 2) range from 3-10 A. I’ve traced it back to the PDF’s, where a similar, but less obvious trend occurs.
From what I’ve gathered, dPDF’s are supposed to center around zero. But some of ours start low, increase, then center around zero, with a break point around 3 A. Its like they have two sections of the data: 1) range from 1-3 A, and 2) range from 3-10 A. I’ve traced it back to the PDF’s, where a similar, but less obvious trend occurs.
dPDF example:
Original PDFs:
Is there something when processing PDF’s in GSAS-II that would influence the low R range but not the higher R range? We suspect it might be due to Lorch damping, as we used it during processing PDFs.
Any comments/suggestions are appreciated.
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