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uFTIR (version 0.1.4)

primpke: Example library

Description

Example spectral library to be used in microplastic evaluations. An example on how to format a SpectralReference object.

It was taken form:

Primpke, S., Wirth, M., Lorenz, C., Gerdts, G. 2018. Reference database design for the automated analysis of microplastic samples based on Fourier transform infrared (FTIR) spectroscopy. Analytical and Bioanalytical Chemistry 410: 5131-5141. You might access to the article at doi: 10.1007/s00216-018-1156-x

Usage

primpke

Arguments

Format

an S4 SpectralReference object with:

substances

character vector with the 270 names of the polymers included in Spectra

clusterlist

integer vector with the corresponding cluster of each polymer described

clusternames

the name of the cluster, sorted in ascending order according to clusterlist

Spectra

matrix with the absorbance readings of each polymer (270 x 1176)

wavenumbers

read wavenumbers. Correspond to Spectra ncol