Add downstream nodes and reprocess the analysis - Compound Discoverer Software - Compound Discoverer 3.5 GC PCI MS MS Tutorial - Add downstream nodes and reprocess the analysis - Compound Discoverer Software

Compound Discoverer 3.5 GC PCI MS MS Tutorial
Product Tree
Desktop Software > Compound Discoverer Software
Document Type
Tutorial
Software version
3.5
  • Compound Discoverer 3.5 GC PCI/MS/MS Tutorial
  • Introduction to the tutorial
  • Access documentation
  • Open the Help topic for a specific area of the user interface
  • Use the Contents page of the Help
  • Use the Help Search
  • Prerequisites
  • Locate the example files
  • Tutorial workflow
  • Open the Compound Discoverer application
  • Check PC access to external databases
  • Set up the study and analysis
  • Start the New Study and Analysis wizard
  • Select the study type
  • Name the study and create the study folder
  • Select the processing workflow
  • Add input files to the study
  • Review the processing workflow
  • Submit the analysis to the job queue
  • Open the result file
  • Check how many compounds the analysis detected
  • Review the results layout
  • Default result page layout
  • Common layout modifications
  • Modify the mass options for a compound
  • Add downstream nodes and reprocess the analysis
  • Select the analysis result for reprocessing
  • Add downstream nodes to the processing workflow
  • Submit the new analysis to the job queue
  • Open the reprocessed result file
  • Review the compound annotations
  • Make structure proposals for a compound and run FISh Scoring
  • Filter the data to reduce the number of compounds to report
  • Export GC CI compounds to a NIST MSP file
  • Create a report using an existing template
  • Legal notices
  • Revision history

To add downstream nodes to the processing workflow and reprocess the analysis, follow these steps in order:

  1. Select the analysis result for reprocessing
  2. Add downstream nodes to the processing workflow
  3. Submit the new analysis to the job queue
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