Howard Mark, Workman Jerry. Chemometrics in Spectroscopy

Book. USA: Elsevier, 2007. — 559 p.This large single volume fulfils the need for chemometric-based tutorials on topics of
interest to analytical chemists or other scientists performing modern mathematical and
statistical operations for use with analytical measurements. The book covers a very
broad range of chemometric topics as indicated in the extensive table of contents. This
book is a collection of the series of columns first published in Spectroscopy providing
detailed mathematical and philosophical discussions on the use of chemometrics and
statistical methods for scientific measurements and analytical methods. In addition the
new revolution in biotechnology and the use of spectroscopic techniques therein provides
an opportunity for those scientists to strengthen their use of mathematics and calibration
through the use of this book.
Subjects covered include those of interest to many groups of scientists, mathematicians,
and practicing analysts for daily problem solving as well as detailed insights into
subjects difficult to thoroughly grasp for the non-specialist. The coverage relies more on
concept delineation than on rigorous mathematics, but the descriptive mathematics and
derivations are included for the more rigorously minded.
Sections on matrix algebra, analytic geometry, experimental design, instrument
and system calibration, noise, derivatives and their use in data analysis, linearity and
nonlinearity are described. Collaborative laboratory studies, using ANOVA, testing for
systematic error, ranking tests for collaborative studies, and efficient comparison of
two analytical methods are included. Discussion on topics such as the limitations in
analytical accuracy; and brief introductions to the statistics of spectral searches; and the
chemometrics of imaging spectroscopy are included.
The popularity of the Chemometrics in Spectroscopy series (ongoing since the early
1990s) as well as the Statistics in Spectroscopy series and books has been overwhelming
and we sincerely thank our readership over the years. We have received e-mails from
many people, one memorable one thanking us that a career change was made due to
the renewed and stimulated interest in statistics and chemometrics due largely to our
thought-provoking columns. We hope you find this collection useful and will continue to
read the columns and write to us with your thoughts, comments, and questions regarding
this stimulating topic.