Full GNPS library cleaned with matchms
The complete GNPS spectral library (GNPS, GNPS-PROPAGATED, and IMPORT entries) was processed and cleaned using matchms. Of the 5'416'135 initial spectra, 3'560'365 were removed, yielding a dataset of 1'855'770 spectra. In addition to the GNPS libra
The complete GNPS spectral library (GNPS, GNPS-PROPAGATED, and IMPORT entries) was processed and cleaned using matchms. Of the 5’416’135 initial spectra, 3’560’365 were removed, yielding a dataset of 1’855’770 spectra. In addition to the GNPS libraries, spectral data from MoNA and MassBank were downloaded and integrated directly from their respective repositories. The MSnLib library, retrieved from Zenodo, was also incorporated.
For details on the specific libraries and filters applied, refer to: https://github.com/commons-research/spectral-lib-cleaning
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Files are hosted on the source repository. Click download to access the full dataset.