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Valid for year : 2008
 
TFKI17 Applied Chemometrics, Second Course, 6 ECTS credits.
/Tillämpad kemometri, fortsättningskurs/

For:   KA  

 

Prel. scheduled hours: 62
Rec. self-study hours: 98

  Area of Education: Technology

Subject area: Chemical Engineering
  Advancement level (G1, G2, A): G1

Aim:
The overall objective is that students be able to extract quantitative information (such as trends, relationships between variables, underlying causes of variation) from large, multivariate datasets and be able to build models useful for making predictions for conditions not included in the original dataset. Specifically, at the end of the course students will be able to:
  • explain what is meant by principal component analysis (PCA), partial least squares (PLS), Pearson correlation, cluster analysis and to be able to describe the underlying theoretical principles;
  • use the software Simpca to analyze multivariate datasets using PCA. Students will be able to determine the underlying relationships between the variables of a dataset as well as amongst the observations and any relationship between the observations and variables;
  • use the software Simpca and PLS to develop and validate a multivariate model for a dataset; to reach conclusions about how well the model fits the dataset;
  • to use cluster analysis to group similar data.


Prerequisites: (valid for students admitted to programmes within which the course is offered)
Chemometrics

Note: Admission requirements for non-programme students usually also include admission requirements for the programme and threshhold requirements for progression within the programme, or corresponding.
Organisation:
The course consists of lectures, computer tutorials and projects which result in oral and written presentation
Course contents:
Review of multivariate experiment design, principal component analysis, partial least squares, Simpca, Pearson�?Ts correlation, cluster analysis
Course literature:
Miller, J.N. and Miller, J.C., Statistics and Chemometrics for Analytical Chemistry
Examination:
Project work presented at a seminar and in a written report
6 ECTS
 


Course language is English.
Department offering the course: IFM.
Director of Studies: Stefan Svensson
Examiner: David Lawrence

Course Syllabus in Swedish

Linköping Institute of Technology
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Contact: TFK , val@tfk.liu.se
Last updated: 01/11/2008