22KK48 - Basic Chemometrics

Course specification
Course title		Basic Chemometrics
Acronym		22KK48
Study programme
Module
Lecturer (for classes)
Lecturer/Associate (for practice)
Lecturer/Associate (for OTC)
ESPB		4.0	Status
Condition		Elements of probability and statistics, Instrumental methods; for Environmental Engeneering: Methods for Pollutant Analysis	Облик условљености
The goal		The basic objective of the course is that students complete and expand their theoretical and practical knowledge in the field of application of statistical methods in the interpretation of the results of chemical measurements in chemical engineering.
The outcome		Upon completion of the course, the student will be able to: select and apply appropriate statistical programs (tools) in data analysis in practical and research work in various fields of chemical engineering, especially in the field of standardization and quality control; classification and modeling of data; the use of standard computer programs for statistical data processing. Students, future engineers, will be able to critically evaluate and evaluate the chemical process. They will be able to plan the experiment, and after evaluating the success of an experiment, perform its optimization and modeling. Students will master the skill of extracting essential variables within a large amount of data, which is a trade-off between exact metrological requirements and solving a chemical problem.
Contents
Contents of lectures		Introduction to chemometrics, concept and application. Errors in quantitative chemical analysis. Application of statistics to the results of repeated measurements (Central tendency and scattering measures, distribution of repeated measurement results, sample, confidence interval, error estimation of the results obtained by calculation). Statistical tests (one-way and two-way tests, parametric and non-parametric tests, ANOVA). Calibration methods, principles of correlation and regression analysis. Experimental Design and Optimization (Randomization, Types of Experimental Design, Optimization Methods). Quality of analytical measurements (Sampling, quality control methods, competence testing schemes, inter-laboratory testing, uncertainty assessment, validation). Selected methods of multivariate analysis.
Contents of exercises		Methods for statistical data processing (preparation of data files, preliminary statistical analyzes, statistical tests, selection of appropriate chemometric techniques, application and interpretation of statistical analysis results, modeling of parameters, evaluation of experiment performance) will be considered. The exercises are on the computer (getting acquainted with the work and using the program for statistical processing of measurement results: Excel, SPSS, Minitab).
Literature
J.N.Miller, J.C.Miller, Statistics and Chemometrics for Analytical Chemistry, Pearson Ed., Harlow, 2010. P. Gemperline, Practical guide to chemometrics, CRC, Press Taylor & Francis Group, London, 2006. О.Matthias, Chemometrics: Statistics and Computer Application in Analytical Chemistry, Wiley-VCH, 1999. O.Matthias, Chemometrics: Statistics and Computer Application in Analytical Chemistry, Wiley-VCH, 1999. (Original title) J. Pallant, SPSS priručnik za preživljavanje, postupni vodič kroz analizu podataka, Mikro knjiga, Beograd, 2009. (Original title)
Number of hours per week during the semester/trimester/year
Lectures	Exercises	OTC	Study and Research	Other classes
2	2
Methods of teaching		Lectures (PPT presentation), test (one), homework (one). Exercises.
Knowledge score (maximum points 100)
Pre obligations		Points	Final exam	Points
Activites during lectures		10	Test paper	40
Practical lessons		20	Oral examination
Projects
Colloquia		30
Seminars