| carbs {mdatools} | R Documentation |
Raman spectra of carbonhydrates
Description
The dataset consists of Raman spectra of fructose, lactose, and ribose as well as spectra of their mixtures.
Usage
data(simdata)Format
The data is a list (carbs) with the following fields:
$D | a matrix (21x1401) with spectral values for the mixtures. |
$S | a matrix (1401x3) with spectral values for the pure components. |
$C | a matrix (21x3) with concentration of the pure components. |
Details
The dataset consists of Raman spectra of fructose, lactose, and ribose as well as spectra of their mixtures. The original spectra were downloaded from publicly available SPECARB library [1], created by S.B. Engelsen. The specta were truncated to the range from 200 to 1600 cm-1.
The spectra of mixtures were created by linear combinations of the original spectra:
D = CS' + E
Concentrations of the components, C, follow a simplex lattice design with four levels. Some noise calculated as a random number uniformly distributed between 0% and 3% of maximum initial intensity (E) was added to each spectrum of the dataset, D, individually.
References
1. Engelsen S.B., Database on Raman spectra of carbohydrates. Available at: http://www.models.life.ku.dk/~specarb/specarb.html [visited 31.05.2020]