A collection of functions for plotting spectra (NMR, IR etc) and carrying out various forms of top-down exploratory data analysis, such as HCA, PCA and model-based clustering.  The design permits comparison of data from samples which fall into groups such as treatment vs. control.  Robust methods appropriate for this type of high-dimensional data are available.  ChemoSpec is designed to be very user friendly and suitable for people with limited background in R.  A vignette illustrating typical operations is available.

multivariate

package

ChemoSpec-package

A collection of functions for plotting spectra (NMR, IR etc) and carrying out various forms of top-down exploratory data analysis, such as HCA, PCA and model-based clustering.  The design allows comparison of data from samples which fall into groups such as treatment vs. control.  Robust methods appropriate for this type of high-dimensional data are available.  ChemoSpec is designed to be very user friendly and suitable for people with limited background in R.

ChemoSpec-package: Exploratory Chemometrics for Spectroscopy

Description

Arguments

Rdversion

docType

Details

References