Three-point multivariate calibration models by correlation constrained MCR-ALS: A feasibility study for quantitative analysis of complex mixtures

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• 作者：B. Debus^a ; ^{b.debus87@gmail.com} ; D.O. Kirsanov^a ; ^b ; ^{d.kirsanov@gmail.com} ; V.V. Panchuk^a ; ^b ; V.G. Semenov^a ; A. Legin^a ; ^b
• 关键词：First-order calibration models ; Partial Least Squares ; MCR-ALS ; Correlation constraint
• 刊名：Talanta
• 出版年：2017
• 出版时间：15 January 2017
• 年：2017
• 卷：163
• 期：Complete
• 页码：39-47
• 全文大小：902 K
• 卷排序：163

文摘

PLS modeling requires large calibration set to provide for good predictions. CC-MCR can produce reliable calibration models with three samples only. The potential of three-point CC-MCR models is demonstrated on several datasets.