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Predicted MS2 fragment peaks showing as black? #218

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typewritermonkey opened this issue Nov 8, 2024 · 3 comments
Open

Predicted MS2 fragment peaks showing as black? #218

typewritermonkey opened this issue Nov 8, 2024 · 3 comments
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bug Marks a bug that has been confirmed/reproduced linked to dev Mark if this issue has been linked to an internal development issue.

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@typewritermonkey
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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.

@typewritermonkey typewritermonkey added the probable bug Marks bug reports where the reported issue has not yet been confirmed/reproduced label Nov 8, 2024
@mfleisch
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mfleisch commented Nov 8, 2024

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

@JethroHemmann
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JethroHemmann commented Nov 27, 2024

I have the same issue!

Peaks that are part of the framentation tree are not shown green in the spectrum.

E.g. the most intense peak here is 150.0583 Da and shown as black. A very tiny peak right next to it is shown in green though. There should also be 13 from 15 peaks explained in this spectrum.

grafik

I can send you a project privately, if needed.

PS: And it works correctly in Sirius 5.8.7, all peaks are green.

@mfleisch mfleisch added bug Marks a bug that has been confirmed/reproduced linked to dev Mark if this issue has been linked to an internal development issue. and removed under-investigation probable bug Marks bug reports where the reported issue has not yet been confirmed/reproduced labels Nov 28, 2024
@mfleisch
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Hey Jethro,
thanks for the additional info. we are already on it. Fix will likely be provided in v6.1.0.

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