Splits an mzML file into multiple parts
Extract extended statistics on the features of a map for quality control.
Calculates a distribution of the mass error from given mass spectra and IDs.
Converts RDKit molecules into InChI Codes and optionally also into InChI Keys.
Performs proteinSIP on peptide features for elemental flux analysis.
Calculates the number failures of the Lipinski's Rule Of Five.
Loads microbial data from a database
Metabolite identification using single and tandem mass spectrometry
Aggregates the results of conformal prediction training for classification or regression: calibration tables and models.
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 […]
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