Exploratory analysis of designed data

Sometimes two of the modes of a three-way array are formed by a two-way ANOVA layout in qualitative variables and the three-way structure comes from measuring a continuous variable (e.g. a spectrum) in each cell of the ANOVA layout. In such cases each cell of the ANOVA has a multitude of responses that not even MANOVA can handle. When quantitative factors are used, one or two modes of the three-way array may result from an experimental design where the responses are noisy spectra that behave nonlinearly. Such data are treated in this section. 

The batch synthesis data [Geladi Forsstrom 2002] is concerned with the production of isoamyl acetate by an esterification from isoamyl alcohol and acetic acid in a boiling reaction mixture. An acid catalyst is needed and paratoluenesulphonic acid is used. Water is removed by azeotropic distillation with benzene for moving the equilibrium towards the 

Multi-way Analysis With Applications in the Chemical Sciences 

Name Array Mode 1 Mode 2 Mode 3 Goal 

XPS 6 x 15 x 90 Pressure Exposure time Electron energy Detect chemical bonds, follow surface reactions as a function of pressure 

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