Discover the basics of Chemometrics methods for spectral data processing

Unscrambler®, PLS_Toolbox®, SIMCA® or Matlab® environment

3 days

Researchers, scientists and engineers


This training session on multivariate data analysis is intended for people wishing to:

  • Learn the basic methods of Chemometrics
  • Become autonomous in spectral data processing
  • Assimilate the key steps of spectroscopic data analysis methodology


During the training, the method principles are introduced by a geometric approach. Emphasis is placed on the practical use of the methods and the interpretation of the results.

Application exercises are proposed for each method. Training can be held on various chemometrics software: Unscrambler® (Camo Analytics), SIMCA® (Umetrics Sartorius), PLS_Toolbox® (Eigenvector Research Inc.) or software from the NIR manufacturers (OPUS, NIRcal, WinISI… ).

Need a specific training?

Our team study your request to offer you the most suitable and personalized training.


Day 1: Exploratory analysis

 Introduction – Chemometrics

  • Principal Components Analysis (PCA)
  • Theoretical principle
  • Interpretation
  • Detection of outliers
    • Application on data set and software


Day 2: Quantitative predictive modeling and pre-processing

 Linear multivariate regression models (MLR, PCR, PLS)

  • Theoretical principle
  • Model validation methods
  • Detection of outliers
  • Optimization
    • Application on data set and software


  • Pre-processing of spectroscopic data
  • Correction of additive effects
  • Correction of multiplicative effects
    • Application on data set and software


Day 3: Methods of discrimination

  •  Principle of identification
  • PLS-DA (PLS – Discriminant Analysis)
  • SIMCA (Soft Independent Modeling of Class Analogies)
Formation analyse de données spectroscopiques
formation traitement spectres NIRS

Our trainer team

Sandra Aubert

Data scientist and in charge of the training department

Sandra Aubert is a Chemometrician Engineer. Her experience of several years working for one of the major spectrometer manufacturers gives her …

Dr. Astrid Maléchaux

Data scientist and trainer

Astrid Maléchaux is a Doctor in Chemometrics and Engineer in food. She has a strong experience in data analytics, especially in spectroscopic data, using…

They talk about us

« Ondalys, skilled in teaching how to analyze spectroscopic data! »

Bernard BARTHES, Researcher at IRD institute

  • Régis CINIER
    Ondalys enables our Bruker customers to deepen their understanding of their processes and optimize their quality expectations. Ondalys does not hesitate to share its knowledge and skills in the analysis of spectral data. So it is always with pleasure and serenity that I recommend the friendly team Ondalys to Bruker customers.
    Régis CINIER
    FTNIR product and Process Manager, Bruker France

Our expertise for the analysis of your data

With more than 15 years of experience in data analysis (Chemometrics and Machine Learning), in particular applied to measurements from spectrometers, the experts of our teams support you at each stage of your projects.

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