FSKX Reader Deprecated

Reads an FSK object from an FSKX file.

QCMerger 

Merges two qcml files together.

RDKit Two Component Reaction Deprecated

Applies a reaction to two RDKit Mol columns

IDMassAccuracy 

Calculates a distribution of the mass error from given mass spectra and IDs.

Enrichment Analyzer 

Tests for enrichment of a set of observation was enriched with certain ontoloy-classes.

OpenSwathRewriteToFeatureXML 

Combines featureXML and mProphet tsv to FDR filtered featureXML.

Tertiary Model Selection 

View and select estimated primary or secondary models or combined models

RDKit Substructure Filter 

Applies a substructure filter to an input RDKit Mol column