sirius-ms/sirius

Custom Database

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Azlaikha02 commented

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.
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mfleisch commented

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