Two chemical mixtures of three compounds have been measured
using HPLC-UV. Two of the compounds are known: diazinon and
parthion-ethyl, both organophosphorus pesticides. Each data matrix
consists of 73 wavelengths and 40 time points. The challenge is to
infer the pure spectra of the individual compounds, as well as their
time profiles.
Usage
data(bdata)
Arguments
Format
A list of four elements. The first two, d1 and d2,
are the mixture matrices of the two analytes and one unknown
interferent. The last two, sp1 and sp2, contain the pure
spectra of the two analytes.
R. Wehrens. "Chemometrics with R - Multivariate Data Analysis in the
Natural Sciences and Life Sciences". Springer, Heidelberg, 2011.
R. Tauler, S. Lacorte and D. Barcelo. "Application of multivariate curve
self-modeling curve resolution for the quantitation of trace levels of
organophosphorous pesticides in natural waters from interlaboratory
studies". J. of Chromatogr. A, 730, 177-183 (1996).