Chemometrics in Spectroscopy (2nd Ed.)
Revised Second Edition

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Language: English

291.26 €

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1092 p. · 15.2x22.8 cm · Paperback

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.

This revised second edition has been expanded with 50% more content on advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more.

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

Howard Mark is President of Mark Electronics, Suffern, New York. He was previously affiliated as a Senior Scientist at Technicon Instrument Corp. in Tarrytown, New York. He holds a B.S. degree from City College of New York, an M.A. from City University of New York, and a PhD from New York University. His professional interests include instrument development, especially for spectroscopy; statistical and chemometric data analysis; and Custom software development, especially for implementation of data analysis algorithms. He received the 2003 Eastern Analytical Symposium Award for Achievement in Near Infrared Spectroscopy. He holds 6 U.S patents and has published 2 books and numerous book chapters. He has acted as Associate editor for the Handbook of Vibrational Spectroscopy, Wiley (2001). He has served as Past president of Council for Near-Infrared Spectroscopy (CNIRS), Treasurer of the New York section of the Society for Applied Spectroscopy, and as Past Chair of the New York section of the Society for Applied Spectroscopy. In addition he acts as Contributing editor and member of the Editorial Advisory Board of Spectroscopy. He has published over 150 peer-reviewed papers dealing with design and development of scientific instrumentation, new concepts in computerized instrumentation and data analysis.
Jerome (Jerry) J. Workman, Jr. is Executive Vice President of Research & Engineering for Unity Scientific and Process Sensors Corporation; Certified Core Adjunct Professor at National University, CA; and Principal at Biotechnology Business Associates. He was formerly Vice President of Technology Research for Masimo Corporation; Director of Research, Technology & Applications Development for Molecular Spectroscopy & Microanalysis for ThermoFisher Scientific; Chief Technical Officer and Vice President of Research & Engineering at Argose Inc.; Senior Research Fellow at Kimberly-Clark Analytical Science & Technology; and Principal Scientist at Perkin-Elmer.

Dr. Wo
  • Written in the column format of the authors’ online magazine
  • Presents topical and important chapters for those involved in analysis work, both research and routine
  • Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy
  • Includes a companion website with 350 additional color figures that illustrate CLS concepts