Phenyl {chemometrics} | R Documentation |
Phenyl data set
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.
Usage
data(Phenyl)
Format
A data frame with 600 observations on the following 659 variables.
grp
- a numeric vector
spec.V1
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spec.V2
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spec.V650
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spec.V651
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spec.V652
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spec.V653
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spec.V654
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spec.V655
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spec.V656
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spec.V657
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spec.V658
- a numeric vector
Details
The data set can be used for classification in high dimensions.
Source
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemeometrics. CRC Press. To appear.
References
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemeometrics. CRC Press. To appear.
Examples
data(Phenyl)
str(Phenyl)
[Package
chemometrics version 0.4
Index]