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enpkg / enpkg_mn_isdb_taxo

ENPKG repository to perform ISDB annotation, MS1 annotation, Molecular Networking and annotations reweighting on a set of individual files
GNU Affero General Public License v3.0
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The cleaning step of the spectral databases needs to be solved. #3

Open oolonek opened 2 years ago

oolonek commented 2 years ago

For example the latest ISDB (https://zenodo.org/record/6939173) takes a while to load because of the precursor formatting. This doesn't seem to happen with the previous version (https://zenodo.org/record/5607264)

Capture d’écran 2022-08-06 à 10 54 30

I tried exporting the cleaned mgf in https://github.com/mandelbrot-project/indifiles_annotation/commits/main#:~:text=exporting%20and%20loading%20cleaned%20mgf with no sucess.

Use binary lib format of https://github.com/mandelbrot-project/spectral_lib_matcher (maybe upload them to Zenodo also)

oolonek commented 2 years ago

Actually this happens for both ISDB files (got confused because I used the load_clean_spectral_db() which has no filtering steps). So I guess this overwriting of precursor is matchms version dependant