Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented.
Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields.
The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities.
1. Chapter 1 Introduction - p. 3 2. Chapter 2 Relevant topics in the interpretation of chemometric data - p. 9 3. Chapter 3 Experimental design for chemometrics: best practices - p. 39 4. Chapter 4 Hyperspectral imaging combined with chemometrics - p. 61 5. Chapter 5 Hyperspectral imaging applications - p. 91 6. Chapter 6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis - p. 125 7. Chapter 7 NMR combined with chemometrics - p. 147 8. Chapter 8 Olfactometry combined with chemometrics - p. 173 9. Chapter 9 Raman spectroscopy combined with chemometrics - p. 197 10. Chapter 10 Sensors and chemometrics - p. 223 11. Chapter 11 Food adulteration - p. 273 12. Chapter 12 Forensics - p. 293 13. Chapter 13 Chemical tools and chemometrics to uncover geographical indication - p. 321 14. Chapter 14 Heavy metals - p. 355 15. Chapter 15 Metabolite identification - p. 385 16. Chapter 16 Chemometrics on pharmaceuticals - p. 407 17. Chapter 17 Water pollution and contaminants - p. 447 18. Chapter 18 Clinical diagnostics coupled to chemometrics - p. 471 19. Chapter 19 Principal component analysis, a more intuitive viewpoint - p. 511 20. Index - p. 525
Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented.
Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields.
The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities.
1. Chapter 1 Introduction - p. 3 2. Chapter 2 Relevant topics in the interpretation of chemometric data - p. 9 3. Chapter 3 Experimental design for chemometrics: best practices - p. 39 4. Chapter 4 Hyperspectral imaging combined with chemometrics - p. 61 5. Chapter 5 Hyperspectral imaging applications - p. 91 6. Chapter 6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis - p. 125 7. Chapter 7 NMR combined with chemometrics - p. 147 8. Chapter 8 Olfactometry combined with chemometrics - p. 173 9. Chapter 9 Raman spectroscopy combined with chemometrics - p. 197 10. Chapter 10 Sensors and chemometrics - p. 223 11. Chapter 11 Food adulteration - p. 273 12. Chapter 12 Forensics - p. 293 13. Chapter 13 Chemical tools and chemometrics to uncover geographical indication - p. 321 14. Chapter 14 Heavy metals - p. 355 15. Chapter 15 Metabolite identification - p. 385 16. Chapter 16 Chemometrics on pharmaceuticals - p. 407 17. Chapter 17 Water pollution and contaminants - p. 447 18. Chapter 18 Clinical diagnostics coupled to chemometrics - p. 471 19. Chapter 19 Principal component analysis, a more intuitive viewpoint - p. 511 20. Index - p. 525
