AccurateMassSearch 

Match MS signals to molecules from a database by mass.

DTAExtractor 

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

SpectraFilterNormalizer 

Scale intensities per spectrum to either sum to 1 or have a maximum of 1.

2D Coordinates 

Generates 2D coordinates for CDK cells

FSK to metadata Deprecated

Extract metadata from an FSK object

Tertiary Model Selection 

View and select estimated primary or secondary models or combined models

Fingerprints 

Generate fingerprints for CDK molecules

MSFraggerAdapter 

Peptide Identification with MSFragger. Important note: The Regents of the University of Michigan ("Michigan") grants us permission to redistribute the […]

XLS Control Table Merger 

The XLS Control Table Merger combines two or more control tables. You can either append all tags, or overwrite the information from the first control table […]