Course for international guest/part time students

Faculty

Faculty of Science

Organization

TTK Department of Physical Chemistry

Code

chemometk20em

Title

Chemometrics

Usual semester

Spring

Published semester

2025/26/2

ECTS

4

Language

en

Learning outcomes

a) knowledge - Knows the basic methods of chemical data analysis, both applications and purposes. b) competencies - Able to analyse chemical data and experimental data using uni- and multivariate statistical methods, able to use descriptive and explanatory chemometric methods. Able to justify his/her ideas and decisions using statistical methods. c) attitudes - Tries to broaden his/her knowledge in statistics and chemometrics. d) responsibility and autonomy - Able to elaborate general and specific disciplinar questions suited for statistical decisions, justify his/her scientific ideas by calculations.

Course content

Basic methods of uni- and multivariate statistics used in chemistry including their mathematical and statistical background, overview of some relevant chemical software and data conventions in chemistry. The course contains the basic tasks and methods of chemometrics including univariate statistical applications, statistical tests, graphical possibilities, linear spaces of variables and objects, clustering, classification, principal component analysis, regression and nonlinear modelling, curve resolution and analysis of variance.

Assessment method

Written exam 50% Report on a self-performed data analysis / literature search / self-study project 50%

Bibliography

Tóth Gergely – weben elérhető témavázlat M. Otto, Chemometrics, Statistics and Computer Application in Analytical Chemistry, 3rd ed., Wiley-VCH, Weinheim, 2017. K. Varmuza, P. Filzmoser, Introduction to Multivariate Statistical Analysis in Chemometrics, CRC, London, 2008. S. Dowdy, S. Wearden, D. Chilko, Statistics in Research, Wiley, Hoboken, 2004.

Programmes of the course