Peak height difference between Experimental & Simulated PDF

[shohan shikder]

Hello Altruists,

I experimentally determined the Pair Distribution Function (PDF) from an electron diffraction pattern (circular ring) and also simulated the PDF using the same structural CIF file. However, when using PDFgui for fitting, I observed a significant difference in peak heights between the experimental and simulated PDF data, even though the peak positions are similar. I couldn't achieve a good fit due to this height difference. Any thoughts, recommendations, or guidelines would be appreciated. Thank you all!

best

shohan

Grad student

[Simon Billinge]

Thanks Shohan, fellow altruist!  Welcome to the community! 

The strongest recommendation is to get the PDF Primer book and work through some examples! 

The differences between the x-Ray and electron cases are sufficiently small (depending on your sample) that as a first cut just doing the X-ray examples should get you close. 

S

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[shohan shikder]

Thank you so much Dr. Billinge. I have collected your books. 

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