Two-dimensional correlation spectroscopy: effect of reference spectrum on noise-free and noisy spectra.
It has been shown that for two-dimensional (2D) correlation analysis with a perturbation average, the first or the last spectrum in the data set as a reference provides identical qualitative results. On the other hand, selection of the reference spectrum significantly different from the spectra used for 2D correlation analysis may complicate interpretation of the contour plots and in consequence lead to erroneous results. The effect of noise is relatively small when 2D correlation spectra are calculated without the reference spectrum. For the other reference spectra the magnitude of the noise effect is comparable. In all cases, the asynchronous spectra are more strongly affected by the noise as compared to the synchronous spectra.
Czarnecki
Mirosław A
MA
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland. mcza@wchuwr.chem.uni.wroc.pl
D003198:Computer Simulation; D003627:Data Interpretation, Statistical; D012015:Reference Standards; D013057:Spectrum Analysis / Q000379:methods* / Q000706:statistics & numerical data*; D013223:Statistics as Topic