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kaibioinfo avatar kaibioinfo commented on June 13, 2024

Hi,
the canopus.csv file lists all compound classes together with their "relative index". For each compound and its molecular formula annotation you have a file [compound-name]/canopus/[formula_adduct].fpt

This is a plain text file containing all posterior probabilities for each compound class, starting with the compound class with relative index 0.

You can also use the https://github.com/kaibioinfo/canopus_treemap tool to parse the project space and make those information available via a python api.

from sirius.

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