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 Messy XRD -- Peak fitting

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T O P I C    R E V I E W
CBY_XRays Posted - 07/19/2024 : 6:56:56 PM
Hi, OriginLab forum,
I'm doing some data analysis for a previous researcher whose data came out pretty messy. Still, it has some interesting characteristics that I'm trying to clean up so I can glean some more information. There are three 2(theta) x-values that I need to integrate for several thousand frames of collected data. Since the data set is so enormous I am trying to take advantage of the "batch peak analyzer". I've done some initial clean-up and integrations, but I've noticed some spots where peaks start to split or are not present. I'm a bit concerned about whether this trend is not accounted for when I am running the integrations. How would you fellow XRD analyzers do this kind of analysis? Ultimately I am looking to calculate the lattice parameters as a function of time.

I've also been running into an error saying that the data is locked when I try to run another peak analyzer batch for the second/third 2(theta). None of my columns are truly locked and I can't find what this is referring to. Any direction about that would be great!

Origin Ver. and Service Release (Select Help-->About Origin): OriginPro 2024 (64-bit) (Academic)
Operating System: Windows 10 and Windows 11
1   L A T E S T    R E P L I E S    (Newest First)
YimingChen Posted - 07/30/2024 : 09:36:39 AM
1. Could you share some of your datasets where peak splitting occurs? The Peak Analysis tool supports auto peak detection. Please check this tutorial page:
https://www.originlab.com/doc/en/Tutorials/BatchPA-Script-Before

2. Could you also share the project file where you are encountering the data-locking issue?

Thank you
James

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