IDMassAccuracy

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

Options

version: Version of the tool that generated this parameters file.
precursor_error_ppm: If this flag is used, the precursor mass tolerances are estimated in ppm instead of Da.
fragment_error_ppm: If this flag is used, the fragment mass tolerances are estimated in ppm instead of Da.
fragment_mass_tolerance: Maximal fragment mass tolerance which is allowed for MS/MS spectra, used for the calculation of matching ions.
number_of_bins: Number of bins that should be used to calculate the histograms for the fitting.
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)

: Output file which contains the deviations from the precursors [tsv]
: Output file which contains the fragment ion m/z deviations [tsv]
: Gaussian fit to the histogram of mass deviations from the precursors. [tsv]
: Gaussian fit to the histogram of mass deviations from the fragments. [tsv]

IDMassAccuracy Std Output: The text sent to standard out during the execution of IDMassAccuracy.
IDMassAccuracy Error Output: The text sent to standard error during the execution of IDMassAccuracy. (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: 2024-04-18

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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