Chemometrics and Statistics

Chemometrics & Statistics

00. Introduction

by Gerrit Renner

about me

Dr. Gerrit Renner

since 2020: Analytical Data Science @ IAC, University of Duisburg-Essen
2015-2020: PhD in Chemistry, University of Duisburg-Essen & Niederrhein University of Applied Sciences
2012-2015: M.Sc. in Applied Chemistry Instrumental Analytics and Lab Management, Niederrhein University of Applied Sciences
2008-2012: B.Sc. in Chemistry & Biotechnology, Niederrhein University of Applied Sciences

time schedule

Lecture & Seminar
Tuesday, 10.15-12.45 @ S06 S00 B41

Tutorial
Wednesday, 12.15-13.45 @ S05 T00 B71
(This will start later; October 30th)

time schedule (continued)

Day	Month	Topic
8	Oct	Intro
15	Oct	Data Characterization 1	Mean, Median, Mode, Variance, Standard Deviation, Quantiles, Range
22	Oct	Data Characterization 2	Distributions, Moments, Histograms, Boxplots, Normalizations
29	Oct	Similarity Analysis 1	t-Tests, f-Test
5	Nov	Similarity Analysis 2	ANOVA
12	Nov	Similarity Analysis 3	PCA
19	Nov	Data Modeling 1	Linear Regression
26	Nov	Data Modeling 2	Non-Linear Regression
3	Dec	Data Modeling 3	Machine Learning, Random Forest
10	Dec	Signal Processing	Smoothing, Derivatives, Fourier Transformation, Wavelets
17	Dec	Errors and Uncertainties	Error Propagation, Confidence Intervals
7	Jan	Experimental Design 1	Downhill Simplex
14	Jan	Experimental Design 2	Full Factorial Design
21	Jan	Experimental Design 3	Fractional Factorial Design
28	Jan	Wrap-Up

Moodle & Materials

Course materials will be provided via Moodle. Please register for the course here.

The script will be updated weekly and will be available via Moodle or github.

How to use this script?

This script is designed as html presentation. You can navigate through the slides using the arrow keys or the navigation buttons in the lower right corner.

>> Press F1 to open the help menu and see all available shortcuts.

>> Press F to enter full screen mode.

>> left/right arrow keys navigate through slides. There is also a menu in the lower left corner to select a specific page or topic.

Boxes & other Elements

Boxes can be used to highlight important information. They can be colored differently to indicate different types of information.

This content is highly relevant for the exam. Please make sure to understand it.

This content is important for the understanding of the topic.

This content is interactive and requires your participation.

Equations will be displayed like:

\[\begin{equation} \sigma = \sqrt{\frac{1}{N-1} \sum_{i=1}^{N} (x_i - \bar{x})^2} \end{equation}\]

>> Don't worry, in the exam you will not be required to write down equations! They will be provided.

Code will be displayed like:

print("Hello World!")

>> Don't worry, reading/writing code is not part of the exam and is not required for the course!

Share your experience

Please introduce yourself to the class. What is your background? What are your experiences with statistics and chemometrics?

Do you know:

Printable Script

The script can also be exported as *.pdf or printed by following these steps:

>> Open the script in your browser

>> Add ?print-pdf to the URL (e.g. https://gere87.github.io/chemometrics_lecture/?print-pdf, or click here)

>> Press Ctrl+P to open the print dialog and select your printer or save as *.pdf ("Micrsoft Print to PDF" is recommended)

>> Optional: I recommend to de-select the option "Header and Footer" in the print dialog

Questions?

Do you have any questions regarding the course, the content, the exam, or anything else? Please feel free to ask!