Course Chemometrics in Excel Monday 18 October 2010, Antwerp, Conference CAC2010 Contact person: Oxana Rodionova (rcs@chph.ras.ru)

Course Description

The aim of the courses is to provide the participants with a simple and powerful tool for basic multivariate analysis. The core functions for projection methods are presented as worksheet functions in Excel, a most widely spread data handling environment.  All calculations are carried out in Excel books, and all regular Excel capacities can be applied for additional calculations: charts, data export and import, templates, etc.  During the course, attendees will have a wide opportunity for the hands-on data analysis.

Chemometrics Add-In is specially designed software for Microsoft Excel.  The package consists of two files Chemometrics.dll and Chemometrics.xla.  The main projection functions can be applied as ordinary user-defined functions in Excel.  The core functions for the PCA/PLS decompositions are designed to ensure very fast calculations even for the rather large data sets (200 samples by 4500 variables).  They are programmed in C++ language and linked to Excel via DLL.  Such an approach also provides possibilities for building classification and calibration models.

Full individual license for Chemometrics Add-In software will be provided for all registered attendees. 

Audience and Language

Students (including postgraduates), specialists, scientists with a basic knowledge in chemometrics and Excel. The course language is English.
Participants are encouraged to use their own laptops with Excel 2007 and Chemometrics Add-In installed.

Registration

Register via the conference web site.

Instructors

DSc. Alexey Pomerantsev (ICP RAS, Moscow)

DSc. Oxana Rodionova (ICP RAS, Moscow)

Course Outline

The course consists of two blocks: part 1 – Introduction, and part 2 - Advanced

Part 1, Introduction
9h00 - 13h00 deals with:

• Matrix calculations in Excel
• Computer exercises: basic Excel calculations, regression, plots, etc

The Introductory course is strongly recommended to those who are going to use Chemometrics Add-In but are not enough experienced in standard matrix calculations in Excel. 

Part 2 Advanced
14h00 - 18h00 deals with:

• Main features of Chemometrics Add-In
• Projection methods PCS, PLS
• Computer exercises: explorative data analysis, multivariate calibration Projection methods: PCA, PLS

Detailed description of Chemometrics-Add-In and computer exercise on its application will be conducted during this course 

Suggested Reading

• Matrix calculations in Excel http://rcs.chemometrics.ru/Tutorials/excel_en.htm
• Projection methods in Excel  http://rsc.chemometrics.ru/Tutorials/projection_en.htm
• Extension of Chemometrics Add-In http://rcs.chemometrics.ru/Tutorials/tricks_en.htm

Additional course materials

• Supplementary xls-files
• Chemometrics Add-In software

will be provided for the participants on September 15, 2010.  

Course booklet

Last modification: 30.06.13