3 ECTS credits
90 h study time
Offer 1 with catalog number 4023174FNR for all students in the 1st semester at a (F) Master - specialised level.
HOC:
This course provides a thorough background in those statistic and chemometric methods that are particularly important to Analytical and Environmental Chemistry. The theoretical part of the course is organized in different modules focusing on:
Introduction to data Mining including transformation of variable, detection of extremes values, identifying interactions, …
Exploratory data analysis with multivariate characterization such as principal component analysis and clustering techniques
Calibration methods involving linear, nonlinear and multiway regressions (MLR, PCR PLS)
Experimental design and optimization (full and fractional factorial techniques)
General requirements for the competence of testing and calibration laboratories (ISO/IEC 17025)
WPO
We also want to show how these knowledges can be sharpened by the application of statistical tools. It is expected that with the help of this course students will develop the skills necessary to solve analytical problems in a quantitative manner with the aid of software such as EXCEL and The R Project for Statistical Computing. The exercises are meant to become familiar with:
R commander and the basic statistics in EXCEL
Data exploration and preparation
ANOVA and factorial designs
Regression methods for instrumental calibration
Multivariate analysis (PCA, AHC, PCR)
Teaching methods
Teaching method will be based on ex cathedra lessons and case studies. Students will be asked to use their own computer and to implement their own script in EXCEL and the R software environment
Notes consisting of the slides shown during the lectures and specific research papers will be available via the CANVAS platform at VUB
References:
Books available in the library of AMGC research unit or via internet:
Statistics and Chemometrics for Analytical Chemistry ISBN-13: 978-0273730422; http://197.14.51.10:81/pmb/CHIMIE/0273730428.pdf
Practical course material
EURACHEM/CITAC guides https://www.eurachem.org/index.php/publications/guides
The course incorporates many features and methods intend to enhance the learning experience for the students in order to (i) design or select optimal experimental procedures, (2) provide maximum relevant chemical information by analysing chemical data and (3) obtain knowledge about chemical systems
By combining the theoretical and practical aspects of this course, it is expected that students will be able to
perform state-of-the-art data mining calculations and can correctly interpret the results
identify the factors which may affect the result of an experiment
Design the experiment so that the effect of uncontrolled factors are minimized
Use statistical analysis to separate and evaluate the effects of the various factors involved
Model the relationship between dependent and independent (predictors) variables
The final grade is composed based on the following categories:
Written Exam determines 100% of the final mark.
Within the Written Exam category, the following assignments need to be completed:
Additional information regarding evaluation (Engels):
Written open-book examination containing resolution of exercises and open theoretical questions. The exam takes place over a period of 3 hrs and requires the use of a computer. A written report summarizing the results/answers and the methodology is requested at the end of the examination
Calculation of the examination mark
For the evaluation of the written report the scores will be awarded according to
the respect of instructions (time, structure of the report, etc.)
understanding of the problems and justification of the followed procedure
Overall quality of the report (clarity, conciseness, accurateness)
The quality of the answer to open theoretical questions and their relevance will be taken into account. It is a question of answering specific questions on topics seen during the theoretical course
This offer is part of the following study plans:
Master of Chemistry: Analytical and Environmental Chemistry
Master of Chemistry: Chemical Theory, (Bio)Molecular Design and Synthesis