PřF:C5120 Computers and Chemometrics

C5120 Computers in Chemistry and Chemometrics

Faculty of Science
Autumn 2016

Extent and Intensity

1/0/0. 1 credit(s) (plus extra credits for completion). Recommended Type of Completion: k (colloquium). Other types of completion: zk (examination).

Teacher(s)

RNDr. Marta Farková, CSc. (lecturer)

Guaranteed by

Timetable

Mon 19. 9. to Sun 18. 12. Mon 7:00–7:50 B09/316

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

At the end of the course students should be able to process the experimental data.

Syllabus

1. Estimation of basic metrological characteristics of outputs. 2. Testing of metrological characteristics of outputs. 3. Determination of mathematical model and its parameters, regression. 4. Linear regression. 5. Methods of general regression, minimization of functions. 6. Absolute and relative errors. Basic sources of errors. Expression of error in basic form. 7. Approximate solution of equations. 8. Interpolation of the functions. 9. Experimental design. 10. Factor analysis. 11. PLS 12. Artificial neural networks.

Literature

PYTELA, Oldřich. Chemometrie pro organické chemiky. 3. přeprac. vyd. Pardubice: Univerzita Pardubice. 199 s. ISBN 8071943096. 2000. info

Teaching methods

Type of education: lectures, class discussion

Assessment methods

Type of exam: written and oral exam. Written exam - 60% of correct answers is needed to pass.

Language of instruction

Czech

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses