VALUE OF Qmax & Qmaxinst at Different temperature

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VISHAL KUMAR

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Sep 29, 2022, 2:03:40 PM9/29/22

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Hello Everyone,

I am doing temperature-dependent PDF analysis [PDFGETX3]. So I am facing the problem to decide the exact value of Qmax & Qmaxinst because at high temperatures the meaningful intensity is up to a lower Q value like 16Å^-1 but at lower temperatures, this value is increased up to 25 Å^-1. So, how to decide the value of Qmax & Qmaxinst, Can I use different Qmax & Qmaxinst for different temperatures?

THANKS

VISHAL

Mikkel Juelsholt

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Oct 2, 2022, 4:09:18 PM10/2/22

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Hi Vishal

If you are not changing the instrumental setup the Qmaxinstr should be the same throughout all the measurements. If you change the instrumental setup, then the value for identical measurements should be the same.

Your Qmax can be whatever you need to get the best PDF, but you must be really careful about directly comparing the PDFs calculated with different Qmax. Resolution and peak width will be different in the different PDFs.