Course Information
Course Title: A Hands-On Example on How to Develop a PLS Regression Model
Categories: 1 - Atomic Spectrometry
2 - Atomic Spectroscopy
3 - Chemometrics
4 - Petroleum Analysis
5 - Polymerase Chain Reaction
6 - Data Analysis
7 - Quality/Regulatory/Compliance
8 - Environmental Analysis
9 - Food
10 - Spectroscopy
11 - Statistics
12 - Infrared Spectroscopy
Instructor(s): Jose Andrade-Garda, Mikael Kubista Course Number: 62
Affiliation: University of A Coruña
Course Date: 03/11/2009 - Wednesday Course Length: 1/2 Day Course
Start Time: 08:30 AM End Time: 12:30 PM
Fee: $215 ($315 after 2/9/09) Textbook Fee:

Course Description
The aim of this short course is to introduce beginners to the complex process of developing a predictive multivariate Partial Least Squares (PLS) regression model. Examples will be analyzed starting from the very beginning of discussing experimental design. Several well-established guidelines will be presented along with some new approaches. Since theory will be kept to a minimum, this hands-on course is highly recommended for those working with multivariate calibration and may or may not have some basic preliminary knowledge about PLS and want to explore its potential. All attendees will be provided free time limited license on a dedicated software for multivariate analysis from MultiD (

Target Audience
This introductory course is intended for researchers, environmentalists, scientists in the life sciences, pharmaceutical and biotech industry, people working with quality control, analytical chemists, etc. The content does also fit some aspects of current industrial PAT (process analytical technologies) trends; mainly those related to multivariate data analysis and knowledge extraction.

Course Outline
The issues to be studied are:
1. Why PLS? 
2. How to organize data and how to pre process data for analysis 
3. Estimating the number of factors to use 
4. Testing for outlier detection 
5. Calibrating with PLS 
6. Extracting additional information from the PLS model

Course Instructor's Biography
Professor Mikael Kubista was among the pioneers developing and applying chemometric methods. During the 90:ies he introduced Procrustes rotation for calibration of samples based on spectroscopic analysis, and demonstrated that spectra of unknown substances in samples could be determined despite extensive spectra overlap by multivariate spectroscopic analysis. Based on these findings he co-founded MultiD Analyses (, which today is leading software Company in multivariate and multidimensional analysis developing the popular softwares DATAN for spectroscopic analysis and GenEx for expression profiling. During the last decade Dr Kubista introduced multivariate methods for expression profiling and he founded TATAA Biocenter as a leading provider of real-time PCR expression services. TATAA Biocenters are today located in Sunnyvale, CA, Gothenburg, Sweden, Munich, Germany and Prague, Czech Republic. The TATAA Biocenters are also leading organizers of professional hands-on training in biostatistics educating annually over 300 scientists. Courses are held world-wide either through TATAA regime (, or in collaboration with Pittcon or HHMI in the US, EMBO and FEBS in Europe, or Unesco in the Middle East and Africa. Dr. Jose-Manuel Andrade holds a permanent possition at the University of A Coruña (NW Europe, Galicia, Spain) since 1995. From 1991 to 1995 he worked in a refinery implementing an ISO9000-based Quality System. He currently works on multivariate data analysis in the environmental and petrochemical fields and gave training courses either for undergraduates and graduated students, as well as continuous training in laboratories (refineries, clinical, etc.). He also works in FTIR applications to speed quality control procedures in manufacturing environments. In addition, he collaborates with Prof. Kubista and MultiD Inc. on how to apply multivariate data analysis tools in gene expresion data. He is also involved in environmental studies dealing with oil pollution after the major spillage of the Prestige carrier on 2002 off the Galician coast.