MetaboliteSpectralMatcher

Perform a spectral library search.

Options

version: Version of the tool that generated this parameters file.
log: Name of log file (created only when specified)
debug: Sets the debug level
threads: Sets the number of threads allowed to be used by the TOPP tool
no_progress: Disables progress logging to command line
force: Overrides tool-specific checks
test: Enables the test mode (needed for internal use only)
prec_mass_error_value: Error allowed for precursor ion mass.
frag_mass_error_value: Error allowed for product ions.
mass_error_unit: Unit of mass error (ppm or Da)
report_mode: Which results shall be reported: the top-three scoring ones or the best scoring one?
ionization_mode: Positive or negative ionization mode?
merge_spectra: Merge MS2 spectra with the same precursor mass.

: mzTab file [mzTab]
: Output spectra as mzML file. Can be useful to inspect the peak map after spectra merging. [mzML]

MetaboliteSpectralMatcher Std Output: The text sent to standard out during the execution of MetaboliteSpectralMatcher.
MetaboliteSpectralMatcher Error Output: The text sent to standard error during the execution of MetaboliteSpectralMatcher. (If it appears in gray, it's the output of a previously failing run which is preserved for your trouble shooting.)

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To use this node in KNIME, install the extension OpenMS from the below update site following our NodePit Product and Node Installation Guide:

v5.2

A zipped version of the software site can be downloaded here.

Plugin provider: Freie Universitaet Berlin, Universitaet Tuebingen, ZIB (GKN-Team) and the OpenMS Team

Plugin version: 3.0.0.202307112039

On NodePit since: 2023-12-06

Last update: 2024-04-16

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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