Stortebecker / metabolomics

A repo to exchange and discuss metabolomics issues at the ZBSA Freiburg.
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Combination of free (and commercial) spectra databases #5

Open Stortebecker opened 7 years ago

Stortebecker commented 7 years ago

Several open source spectra libraries exist. AG Kammerer has licences for at least one of the commercial databases. It would be great to merge all databases to a single one.

To do so, we would have to solve the .msp format issue #3 and, in order to include the NIST db, also #4 .