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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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Problem exporting Alligned feature list gap-filled filtered (MZMine2) for SIRIUS #63

Closed Jsanzmoxo closed 2 years ago

Jsanzmoxo commented 2 years ago

Hello SIRIUS team,

recently I have been running some MZMines to export the data for SIRIUS identifications and the following error message appears:

Joined features have different polarity. This is most likely a bug. If not, please separate them as individual features and/or write a feature request on github.

This only happens when i´m working with LC-MS/MS data with low resolution. Any help you can give me a I would appreaciate a lot.

Thank you in advance.

kaibioinfo commented 2 years ago

Does this error message occurs in SIRIUS or in MZMine? I don't find this kind of error message in the SIRIUS code. Just from the text I would say you have mixed spectra, positive and negative mode, within one file which is not supported in SIRIUS.

Jsanzmoxo commented 2 years ago

This message appears when exporting from MZMine to SIRIUS. Thank you very much for your answer! I will check the + and - modes

kaibioinfo commented 2 years ago

Please open a ticket in https://github.com/mzmine/mzmine2 as we cannot do anything on the SIRIUS side to fix the issue.