Multivariate curve resolution-alternating least squares (MCR-ALS) applied to hyperspectral Raman imaging is extensively used to spatially and spectrally resolve the individual, pure chemical species within complex, heterogeneous samples. A critical aspect of performing MCR-ALS with hyperspectral Raman imaging is the selection of the number of chemical components within the experimental data. Several methods have previously been proposed to determine the number of chemical components, but it remains a challenging task that if done incorrectly, can lead to the loss of chemical information.
View Article and Find Full Text PDFJ Res Natl Inst Stand Technol
December 2014