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Factor Analysis in Chemistry, 3rd Edition



Factor Analysis in Chemistry, 3rd Edition

Edmund R. Malinowski

ISBN: 978-0-471-13479-4 March 2002 432 Pages

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Factor analysis is a mathematical tool for examining a wide range of data sets, with applications especially important to the design of experiments (DOE), spectroscopy, chromatography, and chemometrics. Whereas the first two editions concentrated on standardizing the fundamentals of this emerging discipline, the Third Edition of Factor Analysis in Chemistry, the "bible" of factor analysis, proves a comprehensive handbook at a level that is consistent with the research and design of experiments today.

With the exception of updates, the introductory chapters remain unchanged. Chapter 6 has been edited to focus on evolutionary methods, including window factor analysis, transmutation, and DECRA. Selections on partial least squares and multimode analysis have been expanded and consolidated into two new chapters, 7 and 8. Some of the latest advances in a wide variety of fields, such as chromatography, NMR, biomedicine, environmental science, food, and fuels, are described in the applications chapters (chapters 9 through 12).

Other features of the book include:

  • Provides history of the discipline as well as theory, philosophy, and applications
  • Written for all readership levels: introductory, intermediate, and advanced
  • Explains complicated concepts in simple language without sacrificing mathematical rigor
  • Presents concepts and programs in a style that allows the user to develop programs in any computer language
  • Demonstrates the utility of various factor analytical techniques for solving practical problems in chemistry and related sciences
  • Showcases a unique presentation of partial least squares

Preface to the Second Edition.

Preface to the First Edition.

Historical Perspective of the Author.



Main Steps.

Mathematical Formulation of Target Factor Analysis.

Effects of Experimental Error on Target Factor Analysis.

Numerical Examples of Target Factor Analysis.

Evolutionary Methods.

Multimode Factor Analysis.

Partial Least-Squares Regression.

Component Analysis.

Nuclear Magnetic Resonance.


Additional Applications.

Appendix A: Pseudoinverse.

Appendix B: Toolbox for Chemical Factor Analysis.

Appendix C: MATLAB Programs.


Author Index.

Subject Index.
"...covers new methods...contains expanded material...and describes the latest advances..." (SciTech Book News, Vol. 26, No. 2, June 2002)