Description
The data consist of mass spectra from 600 chemical compounds,
where 300 contain a phenyl substructure (group 1) and 300
compounds do not contain this substructure (group 2). The
mass spectra have been transformed to 658 variables, containing
the mass spectral features. The 2 groups are coded as -1 (group 1)
and +1 (group 2), and is provided as first last variable.
Format
A data frame with 600 observations on the following 659 variables.
Source
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemometrics. CRC Press, Boca Raton, FL, 2009.Details
The data set can be used for classification in high dimensions.
References
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemometrics. CRC Press, Boca Raton, FL, 2009.