Introduction to Chemometric Methods and Experimental Planning

Code:

Q4005

Acronym:

Q4005

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2019/2020 - 1S

Active?	Yes
Responsible unit:	Department of Chemistry and Biochemistry
Course/CS Responsible:	Master in Chemistry

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
M:Q	17	Official study plan until 2022/2023	1	-	9	84	243

Teaching language

Suitable for English-speaking students

Objectives

The objective of this course is to teach the theoretical foundations and the use of chemometric techniques and experimental design for quality control of analytical results in the analytical process.

Learning outcomes and competences

At the end of this course the student will have acquired knowledge, skills and powers to:

comprising:
- Understand the need to implement a system of quality control of the results of chemical analysis
- Understand the purpose of chemometric methods
- Understand the purpose of experimental designs

skills:
- Apply the techniques of quality control in chemical analysis
- Apply commercial software for data analysis
- Communicate orally and in writing the procedures for quality control of a given problem, including all aspects presented in Knowledge.

knowledge:
- The selection of the best chemometric techniques to implement quality control procedures in the chemical analysis processes
- Discuss the advantages and disadvantages of chemometric methods and experimental design

Working method

Presencial

Pre-requirements (prior knowledge) and co-requirements (common knowledge)

Program

1. Exploration and data visualization

2. Analysis of variance

3. Design of experiments

4. Cluster analysis.
    Hierarchical Cluster Analysis (HCA)
    Dendrograms: Construction and interpretation
    Nonhierarchical clustering: (K Means)

5. Principal components analysis (PCA)

6. Quality of measurements

7. Control and quality assurance

8. Statistical evaluation of the performance of analytical methods

9. ISO 5725 Standard: an introduction

Mandatory literature

James Miller, Jane C Miller and Robert D Miller; Statistics and Chemometrics for Analytical Chemistry, Pearson, 2018. ISBN: 978-1292186719 (7th edition)

Complementary Bibliography

E.Morgan; Chemometrics: Experimental Design, Wiley, 1995. ISBN: 9788126517435
Richard G. Brereton; Applied Chemometrics for Scientists, WILEY, 2007. ISBN: 978-0-470-01686-2

Teaching methods and learning activities

The students will be introduced to the theory of chemometrics and experimental design in a context of quality control through lectures. The students will work on data analytical problems using the taught methods and software to analyze data.

keywords

Physical sciences > Chemistry > Analytical chemistry

Evaluation Type

Evaluation with final exam

Assessment Components

designation	Weight (%)
Exame	70,00
Trabalho prático ou de projeto	30,00
Total:	100,00

Amount of time allocated to each course unit

designation	Time (hours)
Estudo autónomo	159,00
Frequência das aulas	84,00
Total:	243,00

Eligibility for exams

Calculation formula of final grade

 

Examinations or Special Assignments

Internship work/project

Special assessment (TE, DA, ...)

Classification improvement

Observations