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KNIME_​GNPSExport

An OpenMS workflow for preprocessing raw data and creating an MGF file containing MS2 spectra, as well as a FeatureQuantificationTable.txt file containing a matrix of all features that have fragmentation patterns. Files needed for the workflow:

1) More than one centroid mzml files (node Input Files)
2) An empty idXML file

Feature detectiongroupingDDA (.mzML)Feature based precursor mass correctionNode 373Node 374Node 375Node 376Node 377Node 378Node 380Node 381Node 382Node 387Node 388FeatureFinderMetabo MetaboliteAdductDecharger Input Files HighResPrecursorMassCorrector MapAlignerPoseClustering IDMapper Input File FileFilter FeatureLinkerUnlabeledKD GNPSExport Output File TextExporter Output File ZipLoopStart ZipLoopEnd Feature detectiongroupingDDA (.mzML)Feature based precursor mass correctionNode 373Node 374Node 375Node 376Node 377Node 378Node 380Node 381Node 382Node 387Node 388FeatureFinderMetabo MetaboliteAdductDecharger Input Files HighResPrecursorMassCorrector MapAlignerPoseClustering IDMapper Input File FileFilter FeatureLinkerUnlabeledKD GNPSExport Output File TextExporter Output File ZipLoopStart ZipLoopEnd

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: eeko
Created at: 2021-02-20
On NodePit since: 2021-11-19
Last update: 2024-12-21
Created with KNIME version: v4.3.4

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