Short Course Listings
Short Course

Course Information
Course Title: (CANCELED) Multivariate Calibration as an Aid to Develop Atomic Spectroscopy Methods
Categories: 1 - Atomic Spectrometry-Spectroscopy
2 - Chemometrics
3 - Data Analysis
4 - Environmental Analysis
5 - Spectroscopy
6 - Green Chemistry
Instructor(s): Jose Andrade Course Number: 83
Affiliation: University of A Corunna, Dep. Analytical Chemistry
Course Date: 03/05/2017 - Sunday Course Length: 1/2 Day Course
Start Time: 08:30 AM End Time: 12:30 PM
Fee: $325 ($425 after 2/18/17) Textbook Fee:

Course Description
The aim of this short course is to present a novel approach to handle complex problems when developing atomic spectroscopy methods. Beginners will be presented the basics of multivariate calibration, which is the main tool used to cope with spectral interferences and signals affected by major and minor concomitants. Finally, it will be introduced how to develop figures of merit (decision limit, detection limit, etc.) based on this new approach. They will comply with most recent ISO and EU guidelines which consider the alpha and beta errors. The methodology presented here will aid atomic spectroscopists reduce costs and reduce the time required to develop the analytical methods. The explanations will be user-focused and mathematical details will be kept to a minimum. In addition, attendees will be provided free time limited license on a dedicated software for multivariate calibration from MultiD (

Target Audience
This introductory course is intended for atomic spectroscopists willing to consider a new alternative to handle complex problems when developing their methods. This will help them improving their efficiency and reducing costs and be more environmentally-friendly.

Course Outline
1. Why multivariate calibration?
2. How to organize data and how to pre process data for analysis
3. The usual method of choice: PLS
4. Estimating the number of factors to use
5. Testing for outlier detection
6. Calibration with PLS
7. Extracting figures-of-merit from PLS models

Course Instructor's Biography
Dr. Jose-Manuel Andrade holds a Chair at the University of A Coruņa (Spain) since 2011. He worked in a refinery as quality control technician. He currently works on multivariate data analysis in the environmental and petrochemical fields and gives training courses for graduated students, as well as continuous training in laboratories (refineries, clinical, etc.) and several universities worldwide. He also works in FTIR applications to speed quality control procedures in several manufacturing environments. After some novel applications of PLS to atomic spectrometry he published a book (edited by the RSC) introducing the principles of PLS multivariate calibration.