PLS_Toolbox Beyond the Interfaces

Course Description

Although many data analysis tasks can be performed within the Graphical User Interfaces (GUIs) in PLS_Toolbox, there is another layer of tools that can only be accessed from the Matlab command line or other scripting environment. Users of all levels find this flexibility helpful for automating analyses, increasing control of their analyses, accessing less commonly used tools, or just because they are more comfortable in a text-driven computer language environment. This course will discuss how to access PLS_Toolbox functionality that is not available from or less convenient in the graphical interfaces. Users will have an opportunity to work at the command line to walk through an entire data analysis procedure while introducing commonly used scripting notation, theoretical guidelines, and approaches for learning about new tools and methods. Hands-on exercises will be done using MATLAB and PLS_Toolbox.

Prerequisites

Linear Algebra for ChemometriciansMATLAB for ChemometriciansChemometrics I — PCA, and Chemometrics II – Regression and PLS or equivalent experience.

Course Outline

1.0 Introduction: Outside the Interfaces
1.1 Why use command-line/scripting?
1.2 Architecture of PLS_Toolbox
1.3 Demos as learning tools

2.0 Walk through: From Import to Report
2.1 Importing Data & DataSet Objects
2.2 Preprocessing: When and How?
2.3 Building Models by Function and Model Objects
2.4 Cross-validatin and Choosing Components

3.0 Other Topics
3.1 Generating Reports
3.2 Exporting Results
3.3 Generating Automatic Model Builders

4.0 Conclusions