Chemometrics

3 credit points

Syllabus, C-level, 1KE722

Code
1KE722
Level
C
Subject(s)
Chemistry
Grading system
Pass with distinction (5), Pass with credit (4), Pass (3), Fail (U)
Finalised
28 April 1999
Responsible department
Department of Chemistry for Life Sciences

Entry requirements

Mathematical statistics. Analytical chemistry (I)

Aims

After the course the students should be able to

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calculate and interpret descriptive statistical measures of location and spread for repeated measurements and define the precision and bias of the measurement method

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calculate the standard deviation of the mean and apply the rules of error propagation for derived quantities

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explain the concept of measurement uncertainty; identify and describe various contributions to the measurement uncertainty and calculate the combined measurement uncertainty according to the GUM procedure

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describe and apply statistical inference methods in the forms of confidence interval, t test, F test, oneway ANOVA and Chi-square test on chemical problems

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describe and apply simple linear regression including confidence intervals for the slope, intercept and predictions, and calculate and interpret the correlation coefficient

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utilise spreadsheets (Excel) for visualisation and statistical anlysis of measurement data

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describe and apply statistical methods for evaluation and assurance of quality where analytical-chemical measurements are involved

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describe the principles of design and evaluation of experiments with severalk influencing factors

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describe how multivariate data can be utilised for classification and calibration

Content

Applications of univariate statistics. Quality assurance in analytical work. Introduction to experimental design for modelling and optimisation. Introduction to multivariate methods for calibration and classification. Computer exercises with Excel and statististical/chemometric software packages.

Instruction

Lectures and laboratory work

Assessment

Written examination at the end of the course. Passed hand-in assignments are also required.

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