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
