Phenyl: Phenyl data set
In chemometrics: Multivariate Statistical Analysis in Chemometrics
Phenyl 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.
grpa numeric vector
spec.V1a numeric vector
spec.V2a numeric vector
spec.V3a numeric vector
spec.V4a numeric vector
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Details
The data set can be used for classification in high dimensions.
Source
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemometrics. CRC Press, Boca Raton, FL, 2009.
References
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis
in Chemometrics. CRC Press, Boca Raton, FL, 2009.
Examples
data(Phenyl)
str(Phenyl)
chemometrics documentation built on Aug. 25, 2023, 5:18 p.m.
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| Phenyl | 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.
grpa numeric vector
spec.V1a numeric vector
spec.V2a numeric vector
spec.V3a numeric vector
spec.V4a numeric vector
spec.V5a numeric vector
spec.V6a numeric vector
spec.V7a numeric vector
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Details
The data set can be used for classification in high dimensions.
Source
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis in Chemometrics. CRC Press, Boca Raton, FL, 2009.
References
K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis in Chemometrics. CRC Press, Boca Raton, FL, 2009.
Examples
data(Phenyl)
str(Phenyl)
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