Two-trace two-dimensional (2T2D) correlation applied to a number of spectra beyond a simple pair.

The application of two-trace two-dimensional (2T2D) correlation analysis to a number of spectra consisting of more than a simple pair is explored, especially when such spectra are randomly collected without knowing the sampling order. Calculation and interpretation of 2T2D correlation spectra are briefly reviewed, and a systematic procedure to identify the set of characteristic bands, which are mutually asynchronous and least overlapped with each other, is described. 2T2D correlation is applied to individual spectra by selecting a representative reference spectrum, such as the average of the whole dataset. A slice of an asynchronous 2T2D spectrum at a characteristic band is devoid of the spectral contribution from the species represented by the band. Since 2T2D analysis may be applied to the whole set of spectra, and each 2T2D asynchronous spectrum yields a set of slices for different characteristic bands, it is possible to generate a series of 2T2D slices obtained at a given characteristic band. By applying the generalized 2D correlation or a successive 2T2D analysis to such slices, one can obtain excellent estimates of the pure component spectra of the mixture, which are comparable to the results from other curve resolution techniques.