Fauteux-Lefebvre Clémence, Lavoie Francis, Gosselin Ryan
Department of Chemical and Biological Engineering , University of Ottawa , Ottawa , Ontario K1N 6N5 , Canada.
Department of Chemical and Biotechnological Engineering , Université de Sherbrooke , Sherbrooke , Québec J1K 2R1 , Canada.
Anal Chem. 2018 Nov 6;90(21):13118-13125. doi: 10.1021/acs.analchem.8b04626. Epub 2018 Oct 24.
The use of spectroscopic methods, such as near-infrared or Raman, for quality control applications combined with the constant search for finer details leads to the acquisition of increasingly complex data sets. This should not prevent the user from characterizing a sample by identifying and mapping its chemical compounds. Multivariate data analysis methods make it possible to obtain qualitative and quantitative information from such data sets. However, samples containing a large (and/or unknown) number of species, segregated trace compounds (present in few pixels), low signal-to-noise ratios (SNR), and often insufficient spatial resolutions still represent significant hurdles for the analyst.
