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DIAMetAlyzer_​2.0

To run the workfow:It works best to have a conda environment added toKNIME (File -> Preferences -> KNIME -> Python)Please install the following python packages:numpy, pandas, pyprophet, pyopenms1) Specify Input Files (.mzML)2) Specify SIRIUS 4.9.0 executable3) Specify library files (mapping, struct) forAccurateMassSearch4) Input SWATH files (.mzML)5) Specify Path to pyprophet installation (PATH topyprophet)6) Specify ouput path in output folder7) Run the workflow AMS: positive_adductsAMS: negative_adductsAssay library generationSIRIUS 4.9.0 executableDIA/SWATH (.mzML)Quantification (.osw)Chromatograms (.mzML)Reference libray (.pqp)PATH to pyprophetDDA (.mzML)AMS: MappingFilesAMS: StructFilesNode 372assy library information Input File Input File AssayGeneratorMetabo Input File OpenSwathWorkflow 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 FileFilter URI Port toVariable To run the workfow:It works best to have a conda environment added toKNIME (File -> Preferences -> KNIME -> Python)Please install the following python packages:numpy, pandas, pyprophet, pyopenms1) Specify Input Files (.mzML)2) Specify SIRIUS 4.9.0 executable3) Specify library files (mapping, struct) forAccurateMassSearch4) Input SWATH files (.mzML)5) Specify Path to pyprophet installation (PATH topyprophet)6) Specify ouput path in output folder7) Run the workflow AMS: positive_adductsAMS: negative_adductsAssay library generationSIRIUS 4.9.0 executableDIA/SWATH (.mzML)Quantification (.osw)Chromatograms (.mzML)Reference libray (.pqp)PATH to pyprophetDDA (.mzML)AMS: MappingFilesAMS: StructFilesNode 372assy library informationInput File Input File AssayGeneratorMetabo Input File OpenSwathWorkflow 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 FileFilter URI Port toVariable

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

Download Workflow
Created by: alka
Created at: 2018-03-18
On NodePit since: 2022-03-01
Last update: 2024-11-16
Created with KNIME version: v4.4.0

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