Chemometrics in Spectroscopy
Revised Second Edition

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)

9780323911641, Elsevier Science

Paperback / softback, published 30 September 2021

1092 pages
22.9 x 15.2 x 6.5 cm, 2.13 kg

Chemometrics in Spectroscopy, Revised Second Edition provides the reader with the methodology crucial to apply chemometrics to real world data. The book 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.

Section 1. Elementary Matrix Algebra Section 2. Matrix Algebra and Multiple Linear Regression Section 3. Experimental Designs Section 4. Analytic Geometry Section 5. Regression Techniques Section 6. Linearity in Calibration Section 7. Collaborative Laboratory Studies Section 8. Analysis of Noise Section 9. Derivatives Section 10. Goodness of Fit Statistics Section 11. More About Linearity in Calibration Section 12. Connecting Chemometrics to Statistics Section 13. Limitations in Analytical Accuracy Section 14. Derivations of Principal Components Section 15. Clinical Data Reporting Section 16. Classical Least Squares (CLS) Section 17. Transfer of Calibrations Section 18. The Importance of Units of Measure Section 19. The Best Calibration Model Section 20. Statistics Section 21. Outliers Section 22. Spectral Transfer: Making Instruments Agree Section 23. Applying Standard Reference Materials Section 24. More About CLS

Subject Areas: Analytical chemistry [PNF]