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Chemometry

Type of study Follow-up Master
Language of instruction Czech
Code 651-3015/01
Abbreviation ChM
Course title Chemometry
Credits 6
Coordinating department Department of Chemistry and Physico-Chemical Processes
Course coordinator doc. Ing. Jiřina Vontorová, Ph.D.

Osnova předmětu

1. Definition of the chemometry. Theory of the probability and its definition. Conditional probability.
2. Theory of errors. Classification of the errors.
3. Random variable. Definition of random variable. Discrete and continuous random variable. Histogram, histogram design. Polygon.
4. Analysis of one-dimensional data.
5. Analysis of small data sets. Horn's method.
6. Exploratory analysis.
7. Statistical tests - one-dimensional analysis.
8. Statistical tests - comparison of two samples.
9. Analysis of variance, ANOVA. One-way ANOVA.
10. Two-way ANOVA.
11. Linear regression. Effective data (outliers observations, extremes).
12. Calibration.
13. Validation. Definition of the validation, validation process, types of validation, validation parameters (accuracy of the method, repeatability, output error, deviation, outliers identification, confidence interval, determination of the uncertainties, recovery, robustness of analytical procedure.

Povinná literatura

KRAMER, R. Chemometric techniques for quantitative analysis. Boca Raton: CRC Press, 1998. ISBN 0-8247-0198-4.

Doporučená literatura

GRETON, R.G. Applied chemometrics for scientists. Hoboken: Wiley, 2007. ISBN 978-0-470-01686-2 .