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sirius-ms / sirius

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
GNU Affero General Public License v3.0
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Predicted MS2 fragment peaks showing as black? #218

Open typewritermonkey opened 4 days ago

typewritermonkey commented 4 days ago

Hi

This might be something I'm doing wrong rather than a bug, but I thought I'd check

Screenshot 2024-11-08 185307

If an observed MS2 fragment is accounted for by Sirius predicted fragmentation tree it should show as green shouldn't it? In this example most of the matched peaks are green but one of the ones that looks like it was predicted is black. It says 11/12 of the peaks and 99% of the total intensity are accounted for, but that huge black peak is annoying me lol

Sirius version 6.07 on Windows.

mfleisch commented 4 days ago

Can you share the project where this is happening? Ist it reproducible everytime you look into this specific compound?