Creates an MSP formatted spectral library.
Converts IUPAC names to RDKit molecules.
The model plotter plots the first PMM model available in the input data table in a JavaScript view.
Computes a suitability score for a database which was used for a peptide identification search. Also reports the quality of LC-MS spectra.
Credential Testing
Splits the input table into two new tables: training and calibration.
Visualize and validate PSI mapping and CV files.
Corrects retention time distortions between maps using a pose clustering approach.
Compares predictions made by Conformal Regressor with actual values.
Applies thresholdfilter to peak spectra.
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Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.