Chemometrics in Spectroscopy
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Chemometrics in Spectroscopy

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Description

Chemometrics in Spectroscopy builds upon the statistical information covered in other books written by these leading authors in the field by providing a broader range of mathematics and progressing into the fundamentals of multivariate and experimental data analysis. Subjects covered in this work include: matrix algebra, analytic geometry, experimental design, calibration regression, linearity, design of collaborative laboratory studies, comparing analytical methods, noise analysis, use of derivatives, analytical accuracy, analysis of variance, and much more are all part of this chemometrics compendium. Developed in the form of a tutorial offering a basic hands-on approach to chemometric and statistical analysis for analytical scientists, experimentalists, and spectroscopists. Without using complicated mathematics, Chemometrics in Spectroscopy demonstrates the basic principles underlying the use of common experimental, chemometric, and statistical tools. Emphasis has been given to problem-solving applications and the proper use and interpretation of data used for scientific research.
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Product details

  • Hardback | 558 pages
  • 167.64 x 246.38 x 40.64mm | 1,156.65g
  • Academic Press Inc
  • San Diego, United States
  • English
  • w. figs., col. pl.
  • 012374024X
  • 9780123740243
  • 1,780,444

Table of contents

1. A New Beginning
2. Elementary Matrix Algebra, Part 1
3. Elementary Matrix Algebra, Part 2
4. Matrix Algebra and Multiple Linear Regression, Part 1
5. Matrix Algebra and Multiple Linear Regression, Part 2
6. Matrix Algebra and Multiple Linear Regression, Part 3
7. Matrix Algebra and Multiple Linear Regression: Conclusion
8. Experimental Designs - Part 1
9. Experimental Designs - Part 2
10. Experimental Designs - Part 3
11. Analytic Geometry, Part I
12. Analytic Geometry, Part II
13. Analytic Geometry, Part III
14. Analytic Geometry, Part IV
15. Experimental Designs Part IV - Varying Parameters to Expand the Design
16. Experimental Designs Part V - One-at-a-time Designs
17. Experimental Designs Part VI - Sequential Designs
18. Experimental Designs Part VII, The Power of a Test
19. Experimental Designs Part VIII, The Power of a Test (Continued)
20. Experimental Designs Part IX - Sequential Designs Concluded
21. Calculating the Solution for Regression Techniques - Part I: Multivariate Regression Made Simple
22. Calculating the Solution for Regression Techniques - Part II: Principal Component(s) Regression Made Simple
23. Calculating the Solution for Regression Techniques - Part III: Partial Least Squares Regression Made Simple
24. Looking Ahead and Behind
25. A Simple Question
26. Calculating the Solution for Regression Techniques - Part IV: Singular Value Decomposition
27. Linearity in Calibration
28. Challenges: Unsolved Problems in Chemometrics
29. Linearity in Calibration - Act II Scene I
30. Linearity in Calibration - Act II Scene II
31. Linearity in Calibration - Act II Scene III
32. Linearity in Calibration - Act II Scene IV
33. Linearity in Calibration - Act II Scene V
34. A Blueprint for Collaborative Laboratory Studies
35. Using ANOVA for Collaborative Laboratory Studies, Part Two
36. Testing for Systematic Error in Collaborative Laboratory Studies, Part Three
37. Ranking Test for Collaborative Studies, Part Four
38. Efficient Comparison of Two Methods for Collaborative Laboratory Studies
39. More About Collaborative Laboratory Studies, a Brief Recap and Additional Resources, Part Five
40. Is Noise Brought by the Stork?: Analysis of Noise, Part 1
41. Analysis of Noise, Part 2
42. Analysis of Noise, Part 3
43. Analysis of Noise, Part 4
44. Analysis of Noise, Part 5
45. Analysis of Noise, Part 6
46. Analysis of Noise, Part 7
47. Analysis of Noise, Part 8
48. Analysis of Noise, Part 9
49. Analysis of Noise, Part 10
50. Analysis of Noise, Part 11
51. Analysis of Noise, Part 12
52. Analysis of Noise, Part 13
53. Analysis of Noise, Part 14
54. Derivatives in Spectroscopy, Part 1: The Behaviour of Derivatives
55. Derivatives in Spectroscopy, Part 2: The True Derivative
56. Derivatives in Spectroscopy, Part 3: Computing the Derivative
57. Derivatives in Spectroscopy, Part 4: Calibrating with Derivatives
58. Comparison of Goodness of Fit Statistics, Part I
59. Comparison of Goodness of Fit Statistics, Part II
60. Comparison of Goodness of Fit Statistics, Part III
61. Comparison of Goodness of Fit Statistics, Part IV
62. Derivatives in Spectroscopy - Update
63. Linearity in Calibration, Act III, Scene I: The Importance of Non-Linearity
64. Linearity in Calibration, Act III, Scene II: The Durbin-Watson Statistic
65. Linearity in Calibration, Act III, Scene III: Other Tests for Non-Linearity
66. Linearity in Calibration, Act III Scene IV: How To Test For non-Linearity
67. Linearity in Calibration, Act III Scene V: Quantifying Non-linearity
68. Linearity in Calibration, Act III Scene VI: Quantifying Non-linearity, Part II, and a News Flash
69. Connecting Chemometrics to Statistics - Part 1, the Chemometrics Side
70. Connecting Chemometrics to Statistics - Part 2, the Statistics Side
71. Limitations in Analytical Accuracy - Part 1
72. Limitations in Analytical Accuracy - Part 2
73. Limitations in Analytical Accuracy - Part 3
74. The Statistics of Spectral Searches
75. The Chemometrics of Imaging Spectroscopy
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About Jerome Workman

Howard Mark is President of Mark Electronics, Suffern, New York. He was previously affiliated as a Senior Scientist at Technicon Instrument Corp. in Tarry town, 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 the Director of Research, Technology & Applications Development in the Department of Molecular Spectroscopy & Microanalysis at the Thermo Electron Corporation. He was formerly Chief Technical Officer and Vice President of Research & Engineering at Argose Inc. In his career, his focus has been on molecular spectroscopy, including near infrared, infrared, ultraviolet-visible, and Raman, process analysis and chemometrics. He received the B. A. degree in natural sciences and M. A. degree in biological sciences and genetics from Saint Mary's University of Minnesota, the Ph.D. degree in biological chemistry from Columbia Pacific University, and is a graduate of the Columbia University Graduate School of Business. In 2002 he was the recipient of the Eastern Analytical Symposium Award for Outstanding Achievements in the Field of Near Infrared Spectroscopy, the ASTM International Award of Merit, and IBC International Scientist of the Year. He is a Fellow of the American Institute of Chemists, the American Society for Testing and Materials International, and the Royal Society of Chemistry (U.K.). He is also a Chartered Chemist (CChem) of the Royal Society of Chemistry (England) and a Chartered Scientist of the Science Council (Europe). He has served as Chair of the Industrial Advisory Board for the Center for Process Analytical Chemistry (CPAC) at the Univ. of Washington; and has been Chairman of the ASTM Main Committee E13 on Molecular Spectroscopy and Chromatography since 2000. He serves on the U.S. National Academies NRC Panel for assessment of NIST programs. He has published 8 text volumes, several hundred scientific papers, 4 commercial software programs, and multiple U.S. and international patents.
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