SubjectsSubjects(version: 979)
Course, academic year 2025/2026
  
Chemometrics in Analytical Chemistry - M402018
Title: Analytická chemometrika
Guaranteed by: Department of Analytical Chemistry (402)
Faculty: Faculty of Chemical Engineering
Actual: from 2019
Semester: winter
Points: winter s.:4
E-Credits: winter s.:4
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, C+Ex [HT]
Capacity: unlimited / 60 (unknown)
Min. number of students: unlimited
Qualifications:  
State of the course: taught
Language: Czech
Teaching methods: full-time
Level:  
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Setnička Vladimír prof. Ing. Ph.D.
Kania Patrik Ing. Ph.D.
Classification: Chemistry > Analytical Chemistry
Interchangeability : AM402018, N402042
Is interchangeable with: AM402018
Annotation -
The subject is focused on understanding basic statistical methods and their applications, especially in analytical chemistry and clinical biochemistry.
Last update: Kania Patrik (23.08.2024)
Course completion requirements -

Getting a credit from credit tests (or for the work out of a project) and successful completion of a written exam test (details during lectures).

Last update: Kania Patrik (23.08.2024)
Literature -

Recommended:

  • Miloslav Suchánek. KVALIMETRIE 16 Statistické metody v metrologii a analytické chemii. Praha: EURACHEM-ČR, 2009, s. ISBN 80-86322-04-1.
  • James N. Miller, Jane C. Miller, Robert D. Miller. Statistics and chemometrics for analytical chemistry. Harlow, England: Pearson, 2018, s. ISBN 978-1-292-18671-9.

Optional:

  • Jan Lepš, Petr Šmilauer. Biostatistika. : Jihočeská univerzita v Českých Budějovicích, 2024, s. ISBN 978-80-7694-066-6.
  • Stephen L. R. Ellison, Vicki J. Barwick, Trevor J. Duguid Farrant. Practical statistics for the analytical scientist, a bench guide. Cambridge: RSC Publishing, 2009, s. ISBN 978-0-85404-131-2.

Last update: prepocet_literatura.php (19.12.2024)
Syllabus -

1. Chemometrics and its significance, probability distribution functions, quantiles of the normal distribution

2. Numerical characteristics of distributions (moment-based vs. quantile-based), measures of location, shape, and variability, rounding of results

3. Important probability distributions in chemometrics (discrete, continuous, and artificially constructed) and their relationships

4. Basic data processing and exploratory data analysis

5. Random sampling and its implementation (simple, systematic, and stratified sampling), estimation of population parameters (point and interval estimates) and their properties

6. Hypothesis testing, types of hypotheses and their roles, test criteria, types of errors, test power

7. Parametric statistical tests (test of accuracy and precision, test of homogeneity of variances, test of means)

8. Nonparametric statistical tests and their importance (sign test, one-sample and two-sample Wilcoxon test)

9. One-way analysis of variance, multiple comparison tests

10. Multifactor analysis of variance (without replication and with replication) and factorial experiments, test of normality and homogeneity of variances

11. Optimization methods (simplex method and steepest descent method), elimination of outliers

12. Contingency tables (goodness-of-fit test, Cramér’s coefficient), Pearson’s test, Fisher’s exact test

13. Correlation and regression analysis, calibration of analytical methods, weighted regression, standard addition, “bracketing,” determination of detection and quantification limits

14. Measurement uncertainty (error vs. uncertainty), significance of uncertainty, trueness, precision and accuracy of measurement, types of uncertainties, evaluation of individual standard uncertainties, Kragten’s algorithm

Last update: Kania Patrik (06.10.2025)
Learning resources -

Study materials in the form of PDF files will be available at the selected web address.

Last update: Kania Patrik (02.09.2024)
Learning outcomes -

Students will be able to:

• apply basic statistical methods for evaluating measurements in chemistry

• optimize measurements

• perform analytical method calibration

• use contingency tables

Last update: Kania Patrik (23.08.2024)
Registration requirements -

Mathematics A

Last update: Kania Patrik (23.08.2024)
Teaching methods
Activity Credits Hours
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 1 28
Příprava na zkoušku a její absolvování 1.5 42
Účast na seminářích 0.5 14
4 / 4 112 / 112
 
VŠCHT Praha