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Chemometrics

* Exchange students do not have to consider this information when selecting suitable courses for an exchange stay.

Course Unit Code651-2036/01
Number of ECTS Credits Allocated4 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *First Cycle
Year of Study *Second Year
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites Course succeeds to compulsory courses of previous semester
Name of Lecturer(s)Personal IDName
VON37Ing. Jiřina Vontorová, Ph.D.
Summary
The aim of the lectures is to acquaint the students with the issue of the probability, statistics and data processing. Students will study how to use the validation procedures and how to evaluate correctly the measured data. The focus of the practical exercises is on the training of the computer software for chemometric calculations and other applications. Another aim of the practical courses is to help the students with the processing of their own data measured within diploma thesis and the treatment of the data obtained during other research activities.
Learning Outcomes of the Course Unit
Knowledge of the basic chemometrics’ terms, validation parameters and methods of statistical treatment of experimental data.
Practical utilization of the available software for chemometrics calculations and for processing of measured data.
Course Contents
1 Introduction, definition of the chemometric.
2 Theory of errors. Classification of the errors.
3 Theory of the probability
4 Random variable. Definition of random variable. Discrete and continuous random variable.
5 Analysis of one-dimensional data.
6 Analysis of small data sets.
7 Exploratory analysis.
8 Statistical tests.
9 Analysis of variance ANOVA.
10 Linear regression.
11 Calibration.
12 Validation of analytical methods.
Recommended or Required Reading
Required Reading:
KRAMER, Richard. Chemometric techniques for quantitative analysis. Boca Raton: CRC Press, 1998. ISBN 0-8247-0198-4.
MELOUN, M., MILITKÝ, J. Kompendium statistického zpracování dat. Praha: Academia Praha, 2006. ISBN 80-200-1396-2.
MELOUN, M., MILITKÝ, J. Sbírka úloh - Statistické zpracování experimentálních dat, Univerzita Pardubice, 1996. ISBN 80-7194-075-5.
KRAMER, Richard. Chemometric techniques for quantitative analysis. Boca Raton: CRC Press, 1998. ISBN 0-8247-0198-4.
Recommended Reading:
Applied chemometrics for scientists [online]. Hoboken: Wiley, 2007 [cit. 2018-03-06]. ISBN 978-0-470-05778-0.
ECKSCHLAGER, K. Chemometrie [Skripta]. Praha: UK, 1991. ISBN 80-7066-487-8.
Applied chemometrics for scientists [online]. Hoboken: Wiley, 2007 [cit. 2018-03-06]. ISBN 978-0-470-05778-0.
Planned learning activities and teaching methods
Lectures, Tutorials
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Graded creditGraded credit100 51