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Syllabus:

Chemometrics, 7.5 Credits

Swedish name: Kemometri

This syllabus is valid: 2014-08-18 and until further notice

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: 5 Pass with distinction, 4 Pass with merit, 3 Pass, VG Pass with distinction, G Pass , U Fail

Responsible department: Department of Chemistry

Revised by: Faculty Board of Science and Technology, 2014-08-28

Contents

Introduction to the "concept of chemometrics": In this section the students are given an overview of the chemometric concept and how chemometrics works as a guiding principle in (i) the definition of objectives, (ii) the planning of experiments, (iii) the creation of information-rich data, (iv) modelling and evaluation, (v) the visualisation  of large amounts of data, and in (vi) validation and prediction. The foundations of (chemical) data analysis: In this section the focus is on the model concept and variability, and how models of variability can be used in data anaylsis. Experiment design: This section addresses how experimental design can be used so that data contains information, how this data can be analysed and evaluated and how this philosophy can be used to optimise (chemical) systems and processes where many variables affect the outcome. Various types of experimental designs, and analyses and optimisation methods are addressed. Multivariate data analysis: This section addresses how large, complex quantities of data (tables) that are constructed of a large number of correlated variables can be analysed so that (i) an overview of multivariate data can be achieved, (ii) similarities and differences between tests can be detected and interpreted, (iii) the relationship between blocks (tables) of data can be modelled and interpreted. Specific applications are addressed, such as: quantitative structure property relationships, multivariate calibration, multivariate classification, as well as the monitoring and control of industrial and other processes. Various types of multivariate projection methods, such as principal component analysis, partial least squares projections to latent structures (PLS) and orthogonal projections to latent structures (OPLS) are presented.

Expected learning outcomes

Expected learning outcomes after completing the course, students shall be able to:
-     theoretically and practically understand the chemometric concept for the interpretation of complex (chemical) data and processes.
-     plan and evaluate (chemical) experiments where many variables affect the outcome.
-     master typical multivariate applications within science and industry such as quantitative structure property relationships, multivariate calibration, multivariate classification, as well as the monitoring and control of industrial and other processes.
-    communicate principles, problems and research results to both experts or non-specialists within the fields of chemometrics in issues that lie within the scope of the content of the course.
-     assimilate such knowledge on the chemometric concept that she/he is able to apply/administer this in applications within research or industry.

Required Knowledge

45 higher education credits obtained in Chemistry courses, or equivalent. English A and Swedish as a general entry requirement for higher studies (if the course is to be conducted in Swedish).

Form of instruction

The teaching may take the form of lectures, calculation exercises, computer exercises, laboratory experiments and projects. The laboratory experiments are mandatory parts of the course.
 

Examination modes

The knowledge of the student is normally presented through a written examination at the end of the course, but is also tested  continuously in the form of tests, exercises and presentations. The course includes a project that is to be presented both verbally and in writing. For the project work, the following grades are awarded: Fail (U), or Pass (G). Grades for the course are not allocated until examinations, laboratory courses and projects have been completed. The grading scale for written examinations, as it is for the whole course, consists of the following grades: Fail (U),  G (Pass)
or VG (Pass with distinction)  or Pass (3), Pass with merit (4), Pass with distinction (5). Students who pass an examination may not take the same examination again with the aim of achieving a higher grade.
A student who has taken two examinations for a course or a part of a course, without passing either examination, has the right to have another examiner appointed, if there are no specific reasons for not doing so (Chapter 6, Section 22, HEA). Requests for a different examiner are to be made to the Head of the Department of Chemistry.

ACCREDITATION Accreditation requests are always examined individually (see the University’s Rules and Regulations and the Accreditation Regulations).

 

Literature

The literature list is not available through the web. Please contact the faculty.