Principal Component Analysis

Principal Component Analysis or PCA (Jackson 1991; Jolliffe 1986) is a technique which, quite literally, takes a different viewpoint of multivariate data. It has many uses, perhaps the most important of which is the possibility to provide simple two-dimen

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Ron Wehrens

Chemometrics with R Multivariate Data Analysis in the Natural and Life Sciences Second Edition

Use R! Series Editors Robert Gentleman, 23andMe Inc., South San Francisco, USA Kurt Hornik, Department of Finance, Accounting and Statistics, WU Wirtschaftsuniversität Wien, Vienna, Austria Giovanni Parmigiani, Dana-Farber Cancer Institute, Boston, USA

Use R! This series of inexpensive and focused books on R will publish shorter books aimed at practitioners. Books can discuss the use of R in a particular subject area (e.g., epidemiology, econometrics, psychometrics) or as it relates to statistical topics (e.g., missing data, longitudinal data). In most cases, books will combine LaTeX and R so that the code for figures and tables can be put on a website. Authors should assume a background as supplied by Dalgaard’s Introductory Statistics with R or other introductory books so that each book does not repeat basic material.

More information about this series at http://www.springer.com/series/6991

Ron Wehrens

Chemometrics with R Multivariate Data Analysis in the Natural and Life Sciences Second Edition

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Ron Wehrens Wageningen University Wageningen, The Netherlands

ISSN 2197-5736 ISSN 2197-5744 (electronic) Use R! ISBN 978-3-662-62026-7 ISBN 978-3-662-62027-4 (eBook) https://doi.org/10.1007/978-3-662-62027-4 Originally Published by Springer-Verlag GmbH, DE 2011. © Springer-Verlag GmbH Germany, part of Springer Nature 2020 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. This Springer imprint is published by the registered company Springer-Verlag GmbH, DE part of Springer Nature. The registered company address is: Heidelberger Platz 3, 14197 Berlin, Germany

For Odilia, Chris and Luc

Preface to the Second Edition

Eight years after the appearance of the first edition of this book, the R ecosystem has evolved significantly. The number of R users has