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 Messy XRD -- Peak fitting
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CBY_XRays

USA
1 Posts

Posted - 07/19/2024 :  6:56:56 PM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
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

YimingChen

1594 Posts

Posted - 07/30/2024 :  09:36:39 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
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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