C5120 Computers in Chemistry and Chemometrics

Faculty of Science
autumn 2017
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
RNDr. Marta Farková, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Timetable
Mon 18. 9. to Fri 15. 12. Thu 8:00–8:50 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
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, 2000, 199 s. ISBN 8071943096. 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
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Autumn 1999, Autumn 2010 - only for the accreditation, Autumn 2000, Autumn 2001, Autumn 2002, Autumn 2003, Autumn 2004, Autumn 2005, Autumn 2006, Autumn 2007, Autumn 2008, Autumn 2009, Autumn 2010, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023, Autumn 2024.
  • Enrolment Statistics (autumn 2017, recent)
  • Permalink: https://is.muni.cz/course/sci/autumn2017/C5120