IDMassAccuracy 

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

QCIDReader 

Reads QC Id information from a CSV file generated with the QCExporter.

RDKit One Component Reaction Deprecated

Applies a reaction to an input RDKit Mol column

XML To Table 

Extracts a parameter from an XML cell and copies it to a new column

Channel Names 

Get public and private channel names

Process Tree Writer 

Export a process tree into a PTML file.

Conformal Prediction Loop End 

Aggregates the results of conformal prediction for conformal classification or conformal regression.

FSKX Reader 

Reads an FSK object from an FSKX file.

Model Writer 

Writes estimated models to the internal database