Reply to “Comment on ‘Identification of Edible Oils by Principal Component Analysis of 1H NMR Spectra’”

• David Rovnyak ^[1] ; Timothy G. Strein ^[1]
  1. [1] Bucknell University

     Bucknell University

     Borough of Lewisburg, Estados Unidos

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 96, Nº 8, 2019, págs. 1793-1795
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • Additional student-acquired untargeted PCA data are presented, and potential variations on a NMR-based oil classification laboratory are discussed. While unambiguous sample identification is easily achieved without feature selection, the use of published peak lists is a viable alternate approach to variable reduction prior to PCA analysis. Individual instructors can evaluate whether an unbiased or a targeted approach best fits their pedagogical goals.