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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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Summary Export does not export the SiriusScore in the formula_identifications.tsv file #125

Closed vormsborg closed 1 year ago

vormsborg commented 1 year ago

Hello,

I noticed that the summary export from Sirius does not export the accurate SiriusScore when looking in the in the formula_identifications.tsv file. Instead it exportes the TreeScore twice.

I'm using SIRIUS 5.7.2 on Windows.

Best regards // Johan

vormsborg commented 1 year ago

I figured out that in the absence of the isotope pattern, the sirius score IS the tree score.