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DIAMetAlyzer_​AB

To run the workfow:It works best to have a condaenvironment added to KNIME (File ->Preferences -> KNIME -> Python)Please install the following pythonpackages:numpy, pandas, pyprophet, pyopenms1) Specify Input Files (.mzML)2) Specify SIRIUS 4.9.0 executable3) Specify library files (mapping, struct)for AccurateMassSearch4) Input SWATH files (.mzML) AMS: positive_adductsAMS: negative_adductsSIRIUS 4.9.0 executableDIA/SWATH (.mzML)Quantification (.osw)Chromatograms (.mzML)Reference libray (.pqp)PATH to pyprophetDDA (.mzML)AMS: MappingFilesAMS: StructFilesassy library informationNode 375Node 376Node 377 Input File Input File Input File Input Files Output Folder Merge Variables(deprecated) ZipLoopStart ZipLoopEnd Statisticalvalidation Output Folder Output File String Input ZipLoopStart ZipLoopEnd Input Files Input Files Input Files feature detection, adductgrouping & accurate mass search URI Port toVariable AssayGeneratorMetabo FileFilter OpenSwathWorkflow To run the workfow:It works best to have a condaenvironment added to KNIME (File ->Preferences -> KNIME -> Python)Please install the following pythonpackages:numpy, pandas, pyprophet, pyopenms1) Specify Input Files (.mzML)2) Specify SIRIUS 4.9.0 executable3) Specify library files (mapping, struct)for AccurateMassSearch4) Input SWATH files (.mzML) AMS: positive_adductsAMS: negative_adductsSIRIUS 4.9.0 executableDIA/SWATH (.mzML)Quantification (.osw)Chromatograms (.mzML)Reference libray (.pqp)PATH to pyprophetDDA (.mzML)AMS: MappingFilesAMS: StructFilesassy library informationNode 375Node 376Node 377 Input File Input File Input File Input Files Output Folder Merge Variables(deprecated) ZipLoopStart ZipLoopEnd Statisticalvalidation Output Folder Output File String Input ZipLoopStart ZipLoopEnd Input Files Input Files Input Files feature detection, adductgrouping & accurate mass search URI Port toVariable AssayGeneratorMetabo FileFilter OpenSwathWorkflow

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

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Created by: alka
Created at: 2018-03-18
On NodePit since: 2022-05-19
Last update: 2024-12-18
Created with KNIME version: v4.5.2

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