Chemometric Analysis for Near-infrared Spectroscopy

This course is designed to teach how to apply the concepts of chemometric data analysis to laboratory near-infrared (NIR) spectroscopy. Concepts from the initial Design of Experiment (DoE) to ongoing model maintenance will be covered. Specific areas of focus for the course are DoE, acquisition of spectral data and the corresponding reference values, investigation of spectral data, data pre-treatment, qualitative and quantitative model development and model optimization and maintenance. Specific model development topics that are taught include: preprocessing techniques, univariate vs. multivariate data analysis (MLR, PCA, PCR, PLS) and validation concepts (cross-validation vs external validation), as well as model maintenance and adjustments. Hands-on exercises and Q&A sessions help translate theoretical concepts into useful tools improving efficiency and performance in the lab.

Who should attend?

Lab managers and supervisors of NIR benchtop systems, instrument owners responsible for model development and maintenance and anyone desiring a deeper knowledge of the use and function of Vision software for spectroscopic data analysis and model development.


  • Metrohm’s Fundamentals of NIR course and/or
  • Working experience with NIR laboratory instruments; experience with Vision software and Metrohm NIR lab instruments is highly recommended

What knowledge will you leave with?  

An advanced understanding of experimental design, data analysis and handling, which chemometric model is appropriate to use for your data and how to develop chemometric models. The validation of existing models and ongoing model maintenance to maintain accuracy of the analysis.


Day 1: Introduction to Chemometrics and Practical Considerations
  • Introduction to Chemometrics 
  • Design of Experiment (DoE) 
  • Data Pretreatments 
  • PCA/PLS 
  • Validation and Optimization 
Day 2: Advanced Model Development
  • Quick refresher of the workflows in Vision using tutorial data
  • Apply newly learned theoretical concepts on example data sets in Vision for quantitative and qualitative model development
  • Learn best practices for data handling and analysis
Day 3: Bring Your Own Data and Samples
  • Apply skills learned during the course to your own data

NOTE: While the concepts and practical considerations discussed in this course apply to all NIR spectroscopic analysis, the hands-on portions and recommended configurations and setting discussions will use Metrohm Vision Chemometrics software and Metrohm Laboratory NIR instruments. Any attendees using other software platforms or instruments from different manufacturers will need to translate instrument settings and software setup to their specific platforms.  

Metrohm USA classroom training is only offered at our Tampa facility. Our Texas and California locations are available for custom training.

*Please contact us for alternative options if:

  • Registering within 30 days of the class start date
  • The course you are interested in is full