LLEF10174 Exploratory Data Analysis / Chemometrics

Details
Responsible DepartmentDepartment of Food Science

Earliest Possible YearBSc. 3 year to MSc. 2 year
DurationOne block
 
Credits7.5 (ECTS)
 
Level of CourseJoint BSc and MSc
 
ExaminationFinal Examination

written examination and oral examination


All aids allowed

Description of Examination: The students will hand in a written group report in due time before the oral examination. At the individual oral examination the students will be examined in the report as well as the examination requirements.

Weight: Oral examination in project report and in the examination requirements 100%



7-point scale, internal examiner
 
Organisation of TeachingLectures (33%), exercises (33%) and project work (34%)
 
Block PlacementBlock 1
Week Structure: C
 
Language of InstructionEnglish
 
Restrictions60
 
Course Content
In industry and research huge amounts of physical, chemical, sensory and other quality measurements are produced on all sorts of materials, processes and products. Exploratory data analysis / chemometrics offers a tool for extracting the optimal information from these data sets through the use of modern software and computer technology.
The course will give a step-by-step theoretical introduction to exploratory data analysis / chemometrics supported by practical examples from food science, agro technology, medicine, pharmaceutical science etc.
Methods for exploratory analysis (Principal Component Analysis), multivariate calibration (Partial Least Squares) and basic data preprocessing are considered. Understanding and interpretation of the computed models is central. As is methods for outlier detection and model validation. Computer exercises and the project will be performed applying user-friendly software. A thorough introduction to the software will be given.
 
Teaching and learning Methods
Lectures, guest lectures, cases, seminars and computer exercises will introduce the chemometric theory and the practical aspects of multivariate data analysis. In the project real data analytical problems are solved from a methodological perspective and the results are reported in written form. The project will mainly be based on data sets from the Spectroscopic and Chemometrics group, Quality & Technology, Department of Food Science.
 
Learning Outcome
The course introduces basic chemometric methods (PCA and PLS) and their use on different kinds of multivariate data of relevance for research and development. Furthermore, the exploratory element in research and development is illustrated.

After completing the course the student should be able to:
Knowledge:
Describe chemometric methods for multivariate data analysis (exploration and regression)
Describe techniques for data pre-preprocessing
Describe techniques for outlier detection
Describe method validation principles
Describe methods for variable selection

Skills:
Apply theory on real life data analytical cases
Apply commercial software for data analysis
Report in writing a full data analysis of a given problem including all aspects presented under Knowledge.
Interpret multivariate models (both exploratory and regression)

Competences:
Discuss and respond to univariate versus multivariate data analytical methodology in problem solving in society
 
Course Literature
Textbook: See the web-site.

Notes, papers and other course material.
 
Course Coordinator
Åsmund Rinnan, aar@life.ku.dk, Department of Food Science/Quality and Technology, Phone: 353-33542
 
Study Board
Study Committee LSN
 
Work Load
lectures38
practicals46
Excursions8
project work36
preparation78

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