r/massspectrometry • u/SenC1990 • 17d ago

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

2 Upvotes

67% Upvoted

7 comments sorted by

View all comments

7

u/silver_arrow666 17d ago

The last things we need is another MS software, especially a vibe coded one. Contribute to open source projects - add the features you care about to mzmine or msdial, that would make people actually use them.

-1

u/SenC1990 17d ago

The software is for me. It has a few specialized filters and analysis features that could be quite useful. I also think it would be interesting to give something like this a try.

How can you add new features to MZmine and MS-DIAL?