FSK to metadata Deprecated

Extract metadata from an FSK object

DTAExtractor 

Extracts spectra of an MS run file to several files in DTA format.

Fingerprints 

Generate fingerprints for CDK molecules

FSK Editor JS 

Java Script Editor of FSK objects

RDKit Aromatizer Streamable

Aromatizes an RDKit Molecule.

OpenSwathRewriteToFeatureXML 

Combines featureXML and mProphet tsv to FDR filtered featureXML.

Groovy Script 

Executes a Groovy script to create a new table from an (optionally empty) set of input tables.

SiriusExport 

Metabolite identification using single and tandem mass spectrometry