Chemometrics in Spectroscopy

Chemometrics in Spectroscopy builds upon the foundations of the multivariate and experimental data analysis. The algebra, analytic geometry, experimental design, calibration regression, linearity, design of collaborative laboratory studies, comparing analytical methods, noise analysis, analysis of variance, and much more are all part of this chemometrics compendium. Developed in the form of a chemistry and experimentalists, and spectroscopists. Without using complicated mathematics, Chemometrics in Spectroscopy demonstrates the basic principles of experimental, chemometric, and statistical tools. Emphasis has been given to the problem and is used for scientific research.

* Offers basic hands-on approach to chemometrics and analysis for analytical scientists, experimentalists, and spectroscopists.
* Useful for analysts in their daily problem solving, as well as detailed insights.
* Provides mathematical proofs and interpretations for the student or rigorously-minded specialist

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 Stage 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, and 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 Behavior 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