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FeatureFinderMetabo

FeatureFinderMetabo assembles metabolite features from singleton mass traces.

pot. predecessor tools $ \longrightarrow $ FeatureFinderMetabo $ \longrightarrow $ pot. successor tools
PeakPickerHiRes TextExporter
PeakPickerWavelet

Mass traces alone would allow for further analysis such as metabolite ID or statistical evaluation. However, in general, monoisotopic mass traces are accompanied by satellite C13 peaks and thus may render the analysis more difficult. FeatureFinderMetabo fulfills a further data reduction step by assembling compatible mass traces to metabolite features (that is, all mass traces originating from one metabolite). To this end, multiple metabolite hypotheses are formulated and scored according to how well differences in RT and m/z or intensity ratios match to those of theoretical isotope patterns.

If the raw data scans contain the scan polarity information, it is stored as meta value "scan_polarity" in the output file.

The command line parameters of this tool are:

INI file documentation of this tool:


OpenMS / TOPP release 2.0.0 Documentation generated on Mon Feb 1 2016 12:49:50 using doxygen 1.8.10