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SysMedOs / lipidhunter

LipidHunter is capable to perform bottom up identification of lipids from LC-MS/MS and shotgun lipidomics data by resembling a workflow of manual spectra annotation. LipidHunter generates interactive HTML output with its unique six-panel-image, which provides an easy way to review, store, and share the identification results.
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Error Running Sample #43

Open Ajerickson opened 1 week ago

Ajerickson commented 1 week ago

Hi! I am trying to run on of my lipid samples (Agilent MS instrument), and I keep getting an error message telling me to check my settings. I have been able to run only the positive test file successfully, but I have not been able to run my own files or the negative test file. I have already converted my local files to mzML and they should be good to go, but I keep getting the error. I have run the debug program already as well and that does not seem to help. I have also been playing around with the parameters, but the issue persists. If you have any suggestions I would really appreciate it! Thank you, Andrew Erickson

ZhixuNi commented 1 week ago

Hi, can you send me a screenshot of the debugging window please? I will have a look.

Ajerickson commented 1 week ago
Screenshot 2024-06-26 at 12 37 18 PM
ZhixuNi commented 1 week ago

It looks like the score weight file for TG has issues. Maybe you can upload all configuration files you used, and send it to me by email. I will have a look.