octane

Octane dataset.
Near infrared (NIR) spectra (absorbance) of \(n\) = 39 gasoline samples over \(p\) = 226 wavelengths (1102 nm to 1552 nm, step = 2 nm).
Samples 25, 26, and 36-39 contain added alcohol (outliers).

datasets

Data exploration and prediction with focus on high dimensional data and chemometrics.
The package was initially designed about partial least squares regression and discrimination models and variants, in particular locally weighted PLS models (LWPLS). Then, it has been expanded to many other methods for analyzing high dimensional data.
The name 'rchemo' comes from the fact that the package is orientated to chemometrics, but most of the provided methods are fully generic to other domains.
Functions such as transform(), predict(), coef() and summary() are available. Tuning the predictive models is facilitated by generic functions gridscore() (validation dataset) and gridcv() (cross-validation). Faster versions are also available for models based on latent variables (LVs) (gridscorelv() and gridcvlv()) and ridge regularization (gridscorelb() and gridcvlb()).

Marion Brandolini-Bunlon

rchemo

Dimension Reduction, Regression and Discrimination for
Chemometrics

Benoit Jaillais

Jean-Michel Roger

Matthieu Lesnoff

octane function

A list with 1 component: the matrix \(X\) with 39 samples and 226 variables.

Format

Octane dataset.
Near infrared (NIR) spectra (absorbance) of \(n\) = 39 gasoline samples over \(p\) = 226 wavelengths (1102 nm to 1552 nm, step = 2 nm).
Samples 25, 26, and 36-39 contain added alcohol (outliers).

octane: octane

Description

Usage

Arguments

Format

References

Examples