FragHub: OMSL output results -093025

FragHub 1.4.1 integration results input OMSL: MSnlib GNPS2 ISDB systemomicslab MoNA MassBank Metaboanalyst Database integration workflow: Deduplicate spectra (splash keys) apply default filters (all but entropy) normalize metadata add chemical ontology Output results available in .csv .json and .msp: Spectra NEG experimental: 1140117 unique INCHIKEY: 113410 Spectra POS experimental: 3731277 unique INCHIKEY: 210777 unique INCHIKEY2D experimental: 248245 Spectra NEG in silico: 2737159 unique INCHIKEY: 1536985 Spectra POS in silico: 2644561 unique INCHIKEY: 1529720 unique INCHIKEY2D in silico: 1611201