Chemometrics and Informatics

Module summary

Module code: CHEM1107
Level: 6
Credits: 15
School: Engineering and Science
Department: Science
Module Coordinator(s): Jeremy Everett



This module aims to introduce, develop and secure a coherent strategy for the acquisition and interpretation of analytical data directed towards the solution of analytical problems.
The specific aims are:
• To apply appropriate mathematical and statistical methods to critically evaluate data.
• To provide an integrated approach to solve and assess the statistical significance of analytical data.
• To make recommendations based upon data analysis to assist research and commercial decision-making processes.

Learning outcomes

On successful completion of this module a student will be able to:
1. Assess critically the difficulties of obtaining representative samples from complex and variable populations.
2. Make a valid choice of method or methods for a particular type of analysis, based upon a knowledge of the analyte, its level, complexity, number of samples and possible interferences.
3. Integrate statistical and computational processes to guarantee the reliability of analytical data and enhance the quality of the product.

Indicative content

• Analytical sample preparation: Quality assurance issues surrounding homogeneity, non-contamination, accuracy and precision.
• Statistical analysis of instrumental data (parametric and non-parametric methods, ANOVA, alternative experimental design, development and analysis, multivariate statistical analysis, pattern recognition and cluster analysis techniques)
• Simplex Optimisation Methods