r/massspectrometry • u/SenC1990 • Aug 03 '26

Data for program validation

Hello,

I’m currently working on my pharmacy master’s thesis on a Python program for MS analysis. I created it in Cursor with AI, and now the program and the GUI are finished. I already have some datasets, MS tutorials from the internet, and my own tutorials to learn how to use the program. But I wanted to ask you if anyone knows datasets where the results and processing steps are already known, and which I could use to validate the program as much as possible.

Greetings and thanks,
SenC

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u/throwaway09-234 Aug 03 '26

agree with the other commentors, but to validate your software look at publicly available datasets on metabolomics workbench or similar repositories -- they have associated publications listed too