tea: HLPC-DAD data for grape extracts conserved with TEA

In alsace: ALS for the Automatic Chemical Exploration of mixtures

Description

Five (very much compressed) HPLC-DAD data matrices of grape extracts after several storage times. All extracts come from the same pooled sample. Since the raw data are given (no smoothing or baseline subtraction has been done, only subsetting of the time and wavelength axes), the object is called tea.raw.

Usage

data(tea)

Format

The UV-Vis data (tea.raw) are given as a list of five matrices, each of dimension 97 times 209 (time x wavelength). The names of the list indicate the day of measurement - day 0 is represented by two measurements.

Source

Provided by Elisabete Carvalho.

References

This is part of the data that have been used in: R. Wehrens, E. Carvalho, D. Masuero, A. de Juan and S. Martens: High-throughput carotenoid profiling using multivariate curve resolution. Anal. Bioanal. Chem. 15:5057-5086 (2013)

Examples

data(tea)
tpoints <- as.numeric(rownames(tea.raw[[1]]))
lambdas <- as.numeric(colnames(tea.raw[[1]]))
contour(tpoints, lambdas, tea.raw[[1]], col = terrain.colors(15),
        xlab = "Retention time (min.)", ylab = "Wavelength (nm)")

Example output

Loading required package: ALS
Loading required package: nnls
Loading required package: Iso
Iso 0.0-17
Loading required package: ptw

alsace documentation built on Nov. 8, 2020, 5:54 p.m.