Multivariate Calibration

By Tormod Næs, Harald Martens, Tormod N?s

Book Overview

Multivariate Calibration Harald Martens, Chemist, Norwegian FoodResearch Institute, Aas, Norway and Norwegian Computing Center, Oslo, Norway Tormod N s, Statistician, Norwegian Food ResearchInstitute, Aas, Norway The aim of this inter-disciplinary book isto present an up-to-date view of multivariate calibration ofanalytical instruments, for use in research, development androutine laboratory and process operation. The book is intended toshow practitioners in chemistry and technology how to extract thequantitative and understandable information embedded innon-selective, overwhelming and apparently useless measurements bymultivariate data analysis. Multivariate calibration is the processof learning how to combine data from several channels, in order toovercome selectivity problems, gain new insight and allow automaticoutlier detection. Multivariate calibration is the basis for thepresent success of high-speed Near-Infrared (NIR) diffusespectroscopy of intact samples. But the technique is very general: it has shown similar advantages in, for instance, UV, Vis, and IRspectrophotometry, (transmittance, reflectance and fluorescence), for x-ray diffraction, NMR, MS, thermal analysis, chromatography(GC, HPLC) and for electrophoresis and image analysis (tomography, microscopy), as well as other techniques. The book is written attwo levels: the main level is structured as a tutorial on thepractical use of multivariate calibration techniques. It isintended for university courses and self-study for chemists andtechnologists, giving one complete and versatile approach, basedmainly on data compression methodology in self-modelling PLSregression, with considerations of experimental design, datapre-processing and model validation. A second, more methodological, level is intended for statisticians and specialists inchemometrics. It compares several alternative calibration methods, validation approaches and ways to optimize the models. The bookalso outlines some cognitive changes needed in analyticalchemistry, and suggests ways to overcome some communicationproblems between statistics and chemistry and technology.

• Format: Paperback
• Language: English
• ISBN: 0471930474
• ISBN13: 9780471930471
• Release Date: July 1992
• Publisher: Wiley
• Length: 440 Pages
• Weight: 1.65 lbs.
• Dimensions: 0.9" x 6.0" x 9.0"