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Syllabus:

Chemometrics, 7.5 Credits

Swedish name: Kemometri

This syllabus is valid: 2011-09-05 valid to 2014-08-17 (newer version of the syllabus exists)

Course code: 5KE053

Credit points: 7.5

Education level: First cycle

Main Field of Study and progress level: Chemistry: First cycle, in-depth level of the course cannot be classified

Grading scale: TH teknisk betygsskala

Responsible department: Department of Chemistry

Contents

Introduction to the ”chemometric concept”: In this part the students are given an overview of the chemometric concept and how chemometrics works as a common theme in, i) definition of aims, ii) planning of experiments, iii) generation of information rich data, iv) modeling and evaluation, v) visualization of large data sets and vi) validation and predictions. The basics of (chemical) data analysis: In this part focus is on the model concept and variability, and how variability can be utilized in data analysis. Experimental design: This part highlights how experimental design can be used to make data contain information, how these data can be analyzed and evaluated, and how this philosophy can be used to optimize (chemical) systems and processes where many variables are affecting the outcome. Different types experimental designs as well as analysis and optimization methods are covered. Multivariate data analysis: This part deals with how large complex data built up by many and correlated variables can be analyzed so that, i) an overview of multivariate data can be obtained, ii) similarities and differences between observations can be detected and interpreted, iii) relations between blocks of data can be modeled and interpreted. Specific applications are covered, such as, quantitative structure activity relationships (QSARs), multivariate calibration, multivariate classification as well as monitoring and control of industrial and other processes. Different types of multivariate projection methods are presented, such as, principal components analysis (PCA), partial least squares projections to latent structures (PLS) and ortogonal PLS (OPLS)

Required Knowledge

Passed courses in Chemistry, 45 credits, or the equivalent. Proficiency in English equivalent to Swedish upper secondary course English A (IELTS (Academic) with a minimum overall score of 5.5 and no individual score below 5.0. TOEFL PBT (Paper-based Test) with a minimum total score of 530 and a minimum TWE score of 4. TOEFL iBT (Internet-based Test) with a minimum total score of 72 and a minimum score of 17 on the Writing Section). Where the language of instruction is Swedish, applicants must prove proficiency in Swedish to the level required for basic eligibility for higher studies.

Literature

Valid from: 2011 week 36

Design of experiments (DOE).
Umeå : Umetrics Academy : cop. 2004 : 468 s. :

Eriksson Lennart
Multi- and megavariate data analysis.
2., rev. and enl. ed. : Umeå : Umetrics Academy : 2006 : xii, 425 s. :
ISBN: 91-973730-2-8
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