14IZS429 - Basics of Chemometrics

Course specification
Course title		Basics of Chemometrics
Acronym		14IŽS429
Study programme		Environmental Engineering
Module
Lecturer (for classes)		prof. dr Aleksandra Perić-Grujić
Lecturer/Associate (for practice)		prof. dr Aleksandra Perić-Grujić
Lecturer/Associate (for OTC)
ESPB		4.0	Status
Condition		Instrumental Methods	Облик условљености
The goal		The main goal of the course is to complete and expand students theoretical and practical knowledge in the field of the application of statistical methods in the interpretation and 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 the analysis of data in practical and research work in various fields of chemical engineering, especially in the field of standardization and quality control; classification and data modeling; using 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 carry out the planning of the experiment, and after evaluating the performance of an experiment, perform its optimization and modeling. Students will master the skills to extract significant sizes within a large number of data, which is a compromise 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 (Measures of central tendency and scatter measurements, distribution of the results of repeated measurements, sample, confidence interval, estimation of errors of 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 measurement (sampling, methods of quality control, training tests, inter-laboratory testing, assessment of uncertainty, validation). Selected multivariate analysis methods.
Contents of exercises		Methods for statistical data processing (data file preparation, preliminary statistical analysis, statistical tests, selection of appropriate haemometric techniques, application and interpretation of statistical analysis results, modeling of parameters, evaluation of the experiment's performance) will be considered. Exercises are on the computer (familiarization with the work and use of programs for statistical processing of measurement results: Excel, SPSS, Minitab).
Literature
A. Perić-Grujić, Osnovi hemometrije, TMF, Beograd, 2012. (Original title) J.N.Miller, J.C.Miller, Statistics and Chemometrics for Analytical Chemistry, Pearson Ed., Harlow, 2010. (Original title) P. Gemperline, Practical guide to chemometrics, CRC, Press Taylor & Francis Group, London, 2006. (Original title) 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
Knowledge score (maximum points 100)
Pre obligations		Points	Final exam	Points
Activites during lectures			Test paper	50
Practical lessons		20	Oral examination
Projects
Colloquia		30
Seminars