期刊
JOURNAL OF CHEMICAL EDUCATION
卷 96, 期 8, 页码 1793-1795出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jchemed.9b00557
关键词
Upper-Division Undergraduate; NMR Spectroscopy; Analytical Chemistry; Laboratory Instruction; Chemometrics
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.
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