Chemometric Techniques for Quantitative Analysis
Based on a short course taught regularly by the author at the Pittcon, ACS, EAS conferences and at on-site locations.
Richard Kramer

216 pages, illustrated printed on acid-free paper $99.95
Marcel Dekker ISBN 0-8247-0198-4

This excellent tutorial shows how to produce and use quantitative analytical calibrations in a laboratory or production environment, estimate the time and resources required to develop analytical calibrations, and employ quantitative software to successfully produce and deploy calibrations.

Written in a step-by-step, conversational style, Chemometric Techniques for Quantitative Analysis

  • describes and fully illustrates the Classical Least Squares (CLS), Inverse Least-squares (ILS), Principal Component Regression (PCR), and Partial Least-Squares (PLS) techniques
  • discusses the selection of calibration standards
  • introduces the fundamentals of factor spaces used in qualitative and discriminant analysis
  • details the initial and continuing validation of calibrations and analyzers
  • explains the similarities, differences, pitfalls, and tradeoffs among different chemometric techniques
  • outlines the necessary steps for the creation and successful long-term deployment of analytical calibrations
  • demonstrates how chemometric techniques can improve calibrations and produce better analytical results
  • facilitates understanding of the current literature
  • reveals important capabilities and features in your own software
  • helps you futher explore the techniques using the comprehensive bibliography
  • and more!
Highly graphical and virtually mathematics free, Chemometric Techniques for Quantitative Analysis serves as an outstanding guide for analytical environmental, pharmaceutical, and industrial and process chemists; geochemists; biologists and biochemists; forensic and materials scientists; toxicologists; quality control managers; and technicians and software engi neers; and as a valuable supplemental text for professional seminars as well as undergraduate and graduate chemometrics and analytical chemistry courses.


"Kramer's book succeeds admirably in its task of providing a gentle but concise introduction to what can often seem a daunting subject. The presentation of ideas is clear and straightforward, as is the style of writing... a useful introduction to chemometrics for chemists, and indeed scientists of all kinds wishing to apply chemometric techniques in their own discipline." -Chemistry in Britain

"...recommended for anyone responsible for developing analytical chemistry calibrations using instrumentation or who is designing software for the instrimuentation and for all academic libraries." -E-Streams

Table of Contents

Introduction

Basic Approach

Creating Some Data

Classical Least-Squares

Inverse Least-Squares

Factor Spaces

Principal Component Regression

PCR in Action

Partial Least-Squares

PLS in Action

Appendix A - Matrices and Matrix Operations

Appendix B - Errors: some Definitions of Terminology

Appendix C - Centering and Scaling

Appendix D - F-Tests for Reduced Eigenvalues

Appendix E - Leverage and Influence

Bibliography


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