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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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Custom Database #190

Closed Azlaikha02 closed 1 month ago

Azlaikha02 commented 1 month ago

Hi there I'm currently on SIRIUS v 6.0.2, and Windows 11, I want to create a custom database based on an "in-house database" in Microsoft Excel. I tried to save the database as CSV (comma delimited), however, when I inserted the database it showed empty. Do you know if this is normal? because I would like to apply my database when computing the data. image

mfleisch commented 1 month ago

Hey, Sirius custom database import expects either .tab (tab separated files) or various spectral library formats like such as NIST .msp as Input.

See the Link below for an example tab file and further information. https://boecker-lab.github.io/docs.sirius.github.io/cli-standalone/#custom-database-tool