MapStatistics 

Extract extended statistics on the features of a map for quality control.

IDMassAccuracy 

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

RDKit To InChI Streamable

Converts RDKit molecules into InChI Codes and optionally also into InChI Keys.

MetaProSIP 

Performs proteinSIP on peptide features for elemental flux analysis.

Lipinski's Rule-of-Five 

Calculates the number failures of the Lipinski's Rule Of Five.

Data Reader 

Loads microbial data from a database

SiriusExport 

Metabolite identification using single and tandem mass spectrometry

Conformal Calibration Loop End 

Aggregates the results of conformal prediction training for classification or regression: calibration tables and models.

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 […]