Facilitate input to Percolator and reintegrate.
Discretise the selected columns
Merges spectra (each MS level separately), increasing S/N ratios.
Converts IUPAC names to RDKit molecules.
Metabolite identification using single and tandem mass spectrometry
Interface to the SEARCH Mode of the SpectraST executable
Annotates MS/MS spectra using SimpleSearchEngine.
Corrects the precursor mass and charge determined by the instrument software.
Reads ComBase CSV files
Finds mass spectrometric peaks in profile mass spectra.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to mail@nodepit.com.
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.