Chemometrics in spectroscopy /
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...
| Main Authors: | , |
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| Corporate Author: | |
| Format: | eBook |
| Language: | English |
| Published: |
Amsterdam :
Academic Press,
2021.
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| Edition: | Second edition. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Intro
- Chemometrics in Spectroscopy: Revised Second Edition
- Copyright
- Dedication
- Contents
- Preface to the First Edition
- Preface to the Second Edition
- The Book Companion
- Chapter 1: A New Beginning *
- Multivariate Normal Distribution
- Matrix Operations
- References
- Further Reading
- Section 1: Elementary Matrix Algebra
- Chapter 2: Elementary Matrix Algebra: Part 1-Primitive operations: Addition, Subtraction, Multiplication, Division, Inver ...
- Matrix Operations
- Matrix Addition
- Subtraction
- Matrix Multiplication
- Matrix Division
- Inverse of a Matrix
- Transpose of a Matrix
- Elementary Operations for Linear Equations
- The Solution
- Summary
- References
- Chapter 3: Elementary Matrix Algebra: Part 2-Elementary Operations, Inverse of a Matrix
- Elementary Matrix Operations
- Calculating the Inverse of a Matrix
- Summary
- References
- Section 2: Matrix Algebra and Multiple Linear Regression
- Chapter 4: Matrix Algebra and Multiple Linear Regression: Part 1-Quasi-Algebraic Operations, Multiple Linear Regression, ...
- Quasialgebraic Operations
- Multiple Linear Regression
- The Least Squares Method
- References
- Chapter 5: Matrix Algebra and Multiple Linear Regression: Part 2-When There Are More Equations Than Unknowns, The Power o ...
- The Power of Matrix Mathematics
- References
- Chapter 6: Matrix Algebra and Multiple Linear Regression: Part 3-The Concept of Determinants
- References
- Chapter 7: Matrix Algebra and Multiple Linear Regression: Part 4-Concluding Remarks, and A Word of Caution
- A Word of Caution
- Reference
- Section 3: Experimental Designs
- Chapter 8: Experimental Designs, Part 1: Introduction
- References
- Chapter 9: Experimental Designs, Part 2: One-Way ANOVA*
- References
- Chapter 10: Experimental Designs, Part 3: Two-Factor Designs*.
- Chapter 24: Calculating the Solution for Regression Techniques: Part 4-Singular Value Decomposition
- References
- Chapter 25: Interlude: Looking Behind and Ahead*
- Reference
- Chapter 26: A Simple Question*
- References
- Chapter 27: Challenges: Unsolved Problems in Chemometrics*
- So What Are These Problems?
- Section 6: Linearity in Calibration
- Chapter 28: Linearity in Calibration- Act I-A Thought Experiment Carried Out by Computer Simulation*
- Chapter 29: Linearity in Calibration-Act II Scene I-A Firestorm Erupts and A Theoretical Explanation of Linearity
- References
- Chapter 30: Linearity in Calibration-Act II Scene II-Details of Reader Responses*
- Reference
- Chapter 31: Linearity in Calibration-Act II Scene III-Summary of Reader Responses, and Our Commentary on Those Resp
- References
- Chapter 32: Linearity in Calibration-Act II Scene IV-A Summary of Findings and Recommendations for Future Explorations&
- z
- References
- Chapter 33: Linearity in Calibration-Act II Scene V-Effect of (Non) Linearity on PLS Algorithm*
- References
- Section 7: Collaborative Laboratory Studies
- Chapter 34: Collaborative Laboratory Studies: Part 1-A Blueprint
- Experimental Design
- Analytical Methods
- Sample Collection and Handling
- Method A and B Analysis
- Results and Data Analysis
- Comparing All Laboratories and All Methods for Precision and Accuracy
- References
- Chapter 35: Collaborative Laboratory Studies: Part 2-Using ANOVA
- ANOVA Test Comparisons for Laboratories and Methods (ANOVA_s4 Worksheet)
- ANOVA Test Comparisons (Using ANOVA_s2 Worksheet)
- References
- Chapter 36: Collaborative Laboratory Studies: Part 3-Testing for Systematic Error
- Testing for Systematic Error in a Method: Comparison Test for a Set of Measurements Versus True Value-Spiked Recovery Metho ...
- References.
- Chapter 47: Analysis of Noise-Part 8-Effect of Noise on the Computed Transmittance, Analysis of Uniformly Distribu
- Effect of Noise on Computed Transmittance
- Computed Transmittance Noise
- Reference
- Chapter 48: Analysis of Noise-Part 9-Analysis of Poisson-Distributed Noise, Effects on Transmittance and Absorbanc
- References
- Chapter 49: Analysis of Noise-Part 10-Analysis of Poisson-Distributed Noise, Effects on Relative Absorbance*
- Reference
- Chapter 50: Analysis of Noise-Part 11-Analysis of Poisson-Distributed Noise, When the Noise Is Not Small Compare
- Discussion
- Reference
- Chapter 51: Analysis of Noise-Part 12-Analysis of Poisson-Distributed Noise: Computation of the Transmittance No
- Chapter 52: Analysis of Noise-Part 13-Analysis of Poisson-Distributed Noise: Computation of the Absorbance Noise
- References
- Chapter 53: Analysis of Noise-Part 14-Analysis of Noise Proportional to the Signal, Small-Noise Case*
- Reference
- Chapter 54: Analysis of Noise-Part 15-Analysis of Noise Proportional to the Signal, Large-Noise Case*
- Preliminary Steps
- Evaluation of the Function
- Noise
- Reference
- Section 9: Derivatives
- Chapter 55: Derivatives in Spectroscopy: Part 1-The Behavior of the Theoretical Derivative*
- The Behavior of Theoretical Derivatives
- The Behavior of Computed Derivatives
- References
- Chapter 56: Derivatives in Spectroscopy: Part 2-The ``True´´ Derivative*
- Better Derivative Approximations
- References
- Chapter 57: Derivatives in Spectroscopy: Part 3-Computing the Derivative (the Savitzky-Golay Method)*
- Methods of Computing the Derivative
- Limitations of the Savitzky-Golay Method
- Extensions to the Savitzky-Golay Method
- References
- Chapter 58: Derivatives in Spectroscopy: Part 4-Calibrating With Derivatives*
- References.