Reply to "Comment on 'Identification of Edible Oils by Principal Component Analysis of 1H NMR Spectra"

被引:1
|
作者
Rovnyak, David [1 ]
Strein, Timothy G. [1 ]
机构
[1] Bucknell Univ, Chem Dept, Lewisburg, PA 17837 USA
关键词
Upper-Division Undergraduate; NMR Spectroscopy; Analytical Chemistry; Laboratory Instruction; Chemometrics;
D O I
10.1021/acs.jchemed.9b00557
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:1793 / 1795
页数:5
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