Extra library details to spectral matching result

computational-metabolomics / mspurity-galaxy

Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching

GNU General Public License v3.0

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Extra library details to spectral matching result #19

Closed Tomnl closed 5 years ago

Tomnl commented 5 years ago

Extra details of the library spectra after spectral matching are now be added to the resulting spectral database. Adds to extra tables ("l_s_peaks" - the library spectral peaks and "l_source" - the library source details e.g. MassBank, GNPS etc)