Course Chemometrics in Excel
The aim of the courses is to provide the participants with a powerful and easy accessible tool for basic multivariate data analysis (MDA). Now MDA is the essential part of complex analytical experiments and chemometrics is intensively used for processing of the various chemical data. Chemometrics uses a very large variety of softwares, special chemometric and general mathematical packages, or various computer environments. As a result, to make first steps for a student or analyst it is necessary to obtain a special software and to acquaint with it. We have design the basic projection methods as worksheet functions in Excel and called it Chemometrics Add-In. This software provides:
Examples of the web-tutorials and supplementary Excel-files will be analyzed during the course. These materials may be used as a framework for a distance e-learning course in chemometrics.
Chemometrics Add-In is a specially designed software for Microsoft Excel. The package consists of two files Chemometrics.dll and Chemometrics.xla. The main projection functions can be applied as ordinary user-defined functions in Excel. The core functions for the PCA/PLS decompositions are designed to ensure very fast calculations even for the rather large data sets (200 samples by 4500 variables). They are programmed in C++ language and linked to Excel via DLL. Such an approach also provides possibilities for building classification and calibration models.
Full individual license for Chemometrics Add-In software will be provided for all registered attendees.
Audience and Language
Students, specialists, scientists. A basic knowledge of chemometric concepts
and methods, e.g., PCA and PLS is desirable
The course language is English.
Participants are encouraged to use their own laptops with Excel 2007 and Chemometrics Add-In installed.
For registration please contact Dr. Stefan Tsakovski (STsakovski@chem.uni-sofia.bg )
DSc Alexey Pomerantsev (ICP RAS, Moscow)
The course consists of three blocks:
Day 1 Introduction, Explorative Analysis
Day 2 Calibration
Day 3 Classification
Detailed description of Chemometrics-Add-In and computer exercise on its application will be conducted during this course
Additional course materials
will be provided for the participants on October 7, 2012
Last modification: 28.05.13