SubjectsSubjects(version: 953)
Course, academic year 2023/2024
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Chemometrics - MC230P09
Title: Chemometrie
Czech title: Chemometrie
Guaranteed by: Department of Analytical Chemistry (31-230)
Faculty: Faculty of Science
Actual: from 2014 to 2023
Semester: summer
E-Credits: 3
Examination process: summer s.:
Hours per week, examination: summer s.:2/0, Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech, English
Note: enabled for web enrollment
Guarantor: prof. RNDr. Jiří Zima, CSc.
Teacher(s): prof. RNDr. Jiří Zima, CSc.
Annotation -
Analytical problems and errors. Probability theory. Errors in classical analysis. Propagation of errors. Basic data distributions. Significance one- and two-tailed testing. Hypothesis testing. Errors in instrumental methods. Least squares regression and correlation. Calibration and fitting methods. Non-parametric testing. Quality control. Sampling. Experimental design. Multivariate statistical problems. The lecture is taught in English for Erasmus students.
Last update: Nesměrák Karel, doc. RNDr., Ph.D. (05.06.2014)
Literature -

1.Eckschlager K., Zima J., Císařová I.: Chemometrie, PřF UK Praha 1994.

2. Miller J.C., Miller J.N.: Statistics for Analytical Chemistry, Ellis Horwood, New York 1993.

3. Meloun M., Militký J: Statistické zpracování experimentálních dat, PLUS, Praha 1994.

4. Vláčil F. a kol.: Příklady z chemické a instrumentální analýzy, kap. 26, str. 365, Informatorium, Praha 1994.

5. Funk W., Dammann V., Donnevert G.: Quality Assurance in Analytical Chemistry, VCH, Weinheim 1995.

Last update: Nesměrák Karel, doc. RNDr., Ph.D. (28.10.2019)
Requirements to the exam -

The exam consists of two parts, the first part is written, where the examples are counted and the written part is followed by an oral part.

Last update: Nesměrák Karel, doc. RNDr., Ph.D. (28.10.2019)
Syllabus -

The lecture deals with basic chemometric terms, principles and approaches. It covers the methodology of chemical analyses and errors in both classical analytical methods and modern instrumental methods. It is divided in several chapters covering comments on calculation methods and practices, errors in classical analysis - statistics of repeated measurements, distribution and propagation of errors, presentation of results. It deals with significance tests, including one-tailed and two-tailed tests, ANOVA calculations, testing for normality of distribution, quality control ad sampling. Regression and correlation in instrumental analysis is discussed, curve fitting, the use of non-parametric and robust methods is also discussed. Finally, experimental design and optimization and pattern recognition are discussed. The lecture includes also practical solving of problems using statistical software ADSTAT.

Last update: OPEKAR (11.02.2003)
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