Inhalt
[ 290GESKDPCK18 ] KV Data Processing in Chemistry





Workload 
Education level 
Study areas 
Responsible person 
Hours per week 
Coordinating university 
1,5 ECTS 
B3  Bachelor's programme 3. year 
Chemistry 
Marko Hapke 
1 hpw 
Johannes Kepler University Linz 



Detailed information 
Original study plan 
Bachelor's programme Chemistry and Chemical Technology 2020W 
Objectives 
At the end of the lecture, the students should be able to
 perform calculations with complex numbers
 understand what are data structures and algorithms
 import different types of data, perform calculations and fitting in Excel
 import data, perform calculations and fitting of the data in OriginPro
 understand error calculus and apply it on sets of data
 present graphically in an adequate manner their results

Subject 
This lecture provides the knowledge necessary for young chemists to be able to plot, analyse and present (experimentally obtained) datasets using two types of software: Excel, which is largely available, and OriginPro which is used for scientific results handling. An important aspect is to assess the type of errors which may appear in the data and to understand their origin. Additionally, basic information is provided on how should be approached large data structures. Complex numbers are relevant in any area of chemistry where a trigonometric functions are used, because it is easier to express them as complex exponentials (e.g. electrochemistry, spectroscopy, quantum chemistry).

Criteria for evaluation 
The studentsâ€™ knowledge is assessed concerning: importing/ handling the data, graphical representation and analysis of the curves using appropriate fitting equations. Also, standard deviation calculation based on error calculus and appropriate presentation is required. Suitable data representation and visualisation following the the International Union of Pure and Applied Chemistry (IUPAC) recommended rules must always be taken into consideration and applied.

Methods 
The lecture is conducted both as a presentation mode of the lecturer to the students and interactively, with both lecturer and students using the software (Excel and OriginPro). The students are guided through the software and thought what to do with the datasets, from importing to plotting, analysing, saving and exporting the graphs.

Language 
English 
Study material 
The presentation slides are prepared in such a manner that they provide all information necessary. Datasets are provided, as well as occasional homework for additional practising.

Changing subject? 
No 



Onsite course 
Maximum number of participants 
25 
Assignment procedure 
Direct assignment 


