PARAFAC2 information page

PARAFAC2 highlights:

 

  • Simultaneous processing of all GC-MS runs from an experiment
  • More compounds → more value
  • Clean MS-Spectra → better NIST library hit
  • Less noise in final data → more conclusive results

DATA PROCESSING WORKFLOW

1. Inspect raw data and

split chromatograms into intervals

2. Evaluate PARAFAC2 models and determine no. of components in each model

3. Inspect MS-spectra and Extracted Ion Chromatograms

4. Choose relevant compounds

5. Clean MS-spektra ready for e.g. NIST library searches

6. Investigate results with e.g. Principal Component Analysis (PCA)