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PEAXACT Tutorials

Data Exploration

  • Load spectrum files and timestamps
  • Add feature values to spectra by hand and automatically
  • Visualize spectra and feature values

Peak Integration

  • Create an Integration Model and calculate peak areas of spectra
  • Perform a single-point calibration to convert peak areas to concentrations
  • Create a Custom Result to calculate concentration ratios

Indirect Hard Modeling (IHM)

  • Create a Hard Model using IHM
  • Calibrate the model
  • Use the model to predict concentrations of unknown spectra

Projection to Latent Structures (PLS)

  • Modify the Pretreatment Model and create Data Filters
  • Perform PLS calibration
  • Improve the Calibration Model
  • Evaluate calibration alternatives

Database Lookup Classification

  • Use categorical features in a Cluster Analysis
  • Apply pretreatments to imprvove sample clustering
  • Perform classification using a database lookup method
  • Identify classes of unknown samples

Quantitative NMR

  • Apply NMR-specific pretreatments
  • Create a Hard Model using the Complemental Hard Modeling technique
  • Define NMR-specific Custom Results for a calibration-free calculation of concentrations

Hard Modeling Factor Analysis (HMFA)

  • Create a representative sample
  • Create a Hard Model for the representative sample
  • Use the model to analyse a series of spectra from a reactive process