Chemometrics in Spectroscopy

Presents chemometrics in a way that allows scientists to apply real world spectroscopic data to explain unexpected results and solve problems

Howard Mark (Author), Jerry Workman, Jr. (Author)

9780128053096

Paperback, published 12 July 2018

1090 pages
23.4 x 19 x 6.5 cm, 2.22 kg

Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena.

Section 1. Elementary Matrix AlgebraSection 2. Matrix Algebra and Multiple Linear RegressionSection 3. Experimental DesignsSection 4. Analytic GeometrySection 5. Regression TechniquesSection 6. Linearity in CalibrationSection 7. Collaborative Laboratory StudiesSection 8. Analysis of NoiseSection 9. DerivativesSection 10. Goodness of Fit StatisticsSection 11. More About Linearity in CalibrationSection 12. Connecting Chemometrics to StatisticsSection 13. Limitations in Analytical AccuracySection 14. Derivations of Principal ComponentsSection 15. Clinical Data ReportingSection 16. Classical Least Squares (CLS)Section 17. Transfer of CalibrationsSection 18. The Importance of Units of MeasureSection 19. The Best Calibration ModelSection 20. StatisticsSection 21. OutliersSection 22. Spectral Transfer: Making Instruments AgreeSection 23. Applying Standard Reference MaterialsSection 24. More About CLS

Subject Areas: Analytical chemistry [PNF]