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Chemometrics in spectroscopy

Chemometrics in spectroscopy

Mark, Howard; ScienceDirect (Online service); Workman, Jerry

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. * Offers basic hands-on approach to chemometric and statistical analysis for analytical scientists, experimentalists, and spectroscopists. * Useful for analysts in their daily problem solving, as well as detailed insights into subjects often considered difficult to thoroughly grasp by non-specialists. * Provides mathematical proofs and derivations for the student or rigorously-minded specialist

eBook , Electronic resource , Book . English. Electronic books.
Published Amsterdam ; Oxford : Academic 2007

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Available at World Wide Web.

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Details

Statement of responsibility: Howard Mark, Jerry Workman
ISBN: 012374024X, 9780123740243
Note: Includes index.
Physical Description: p. cm.
Subject: Spectrum analysis Statistical methods.; Chemometrics.
Reproduction: Electronic reproduction. Amsterdam: Elsevier Science & Technology, 2007. Mode of access: World Wide Web. System requirements: Web browser. Title from title screen (viewed on July 25, 2007). Access may be restricted to users at subscribing institutions.

Contents

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