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OpenMS
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MassTraceExtractor extracts mass traces from a MSExperiment map and stores them into a FeatureXMLFile.
pot. predecessor tools | → MassTraceExtractor → | pot. successor tools |
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PeakPickerHiRes | FeatureFinderMetabo | |
PeakPickerWavelet | TextExporter |
This TOPP tool detects mass traces in centroided LC-MS maps and stores them as features in a FeatureMap. These features may be either used directly as input for an metabolite ID approach or further be assembled to aggregate features according to a theoretical isotope pattern. For metabolomics experiments, the FeatureFinderMetabo tool offers both mass trace extraction and isotope pattern assembly. For proteomics data, please refer to the FeatureFinderCentroided tool.
The command line parameters of this tool are:
INI file documentation of this tool: