Brereton: Chemometrics - Data Sets

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Education Article

  • Published: Oct 3, 2005
  • Channels: Chemometrics & Informatics

Chemometrics: Data Analysis for the Laboratory and Chemical Plant - The data sets
Richard G. Brereton, University of Bristol.

In order to access the datasets and software which complement the book, "Chemometrics: Data Analysis for the Laboratory and Chemical Plant", click on the links below.

The software files are password protected. The password is the 7th word on the 3rd line of page 233 of the book, and should be typed in as lower case letters only. If you do not have a copy of the book, you can purchase a copy by clicking on the link below. Alternatively, please e-mail to receive the password. Please note that the password will be issued through this e-mail address at the discretion of the Publisher.

Files are compressed in zip format.


  • Datasets
    The datasets are downloaded as a single zip file, with numerical data organised as a series of tables in Word corresponding to specific tables and problems in the text.

  • VBA macros
    VBA code for PCA and for labelling graphs are available as described in Section A.4.6.1. These may be freely used without restrictions, proving there is suitable acknowledgement.

  • Excel and Matlab software (password protected)
    Matlab routines written by Hailin Shen are available corresponding to the main methods described in the book. The procedures are cross-referenced to specific sections of the text. The Excel add-in, written by Tom Thurston, based on original material by Les Erskine, is described in Section A.4.6.2, and contains multivariate tools for performing PCA, PCR, PLS and MLR. The software is available freely to readers of this book for the purpose of private study. All enquiries about commercial exploitation are to be sent to

    Please note the password should be entered in lower case letters.
    Please also note that these files are zipped in a password protectected 7-Zip file (.7z). In order to access these files, you will need to download the 7-Zip application, by clicking on this link.

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