Principal component analysis for automated classification of 2D spectra and interferograms of protein therapeutics: influence of noise, reconstruction details, and data preparation.
Brinson RG, Elliott KW, Arbogast LW, Sheen DA, Giddens JP, Marino JP, Delaglio F. 2020. Principal component analysis for automated classification of 2D spectra and interferograms of protein therapeutics: influence of noise, reconstruction details, and data preparation. Journal of biomolecular NMR 74(10-11): 643-656. DOI: 10.1007/s10858-020-00332-y