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Articles

N.M. Faber, F.H. Schreutelkamp, H.W. Vedder

The goal of building a multivariate calibration model is to predict a chemical or physical property from a set of predictor variables, e.g. analyte concentration or octane number from a near infrared (NIR) spectrum. A good multivariate calibration model should be able to replace the laborious, possibly imprecise reference method. The quality of a model therefore primarily depends on its predictive ability. Other properties such as interpretability of the model coefficients might also be of interest, but here the focus is on the problem of quantifying the predictive ability.

Article  |  Issue 16/1 (2004)
Luisa Mannina, Anatoli P. Sobolev, Annalaura Segre

Luisa Mannina,a,b Anatoli P. Sobolevb and Annalaura Segreb

aUniversity of Molise, Faculty of Agriculture, 86100 Campobasso, Italy
bInstitute of Chemical Methodologies, CNR, 00016 Monterotondo Staz., Rome, Italy

Article  |  Issue 15/3 (2003)
A.M.C.Davies, Tom Fearn

A.M.C.Davies,a and Tom Fearn,b

aNorwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA,UK
bDepartment of Statistical Science, University College London, Gower Street, London

Tony Davies Column  |  Issue 14/6 (2002)
Tony M.C. Davies, Tom Fearn

Tony M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA,UK

Tom Fearn

Department of Statistical Science, University College London, Gower Street, London

Tony Davies Column  |  Issue 14/2 (2002)
Tony Davies, Tom Fearn

Tony Davies

Norwich Near Infrared Consultancy , 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Tom Fearn

Department of Statistical Science, University College London, Gower Street, London,WC1E 6BT, UK

Tony Davies Column  |  Issue 13/6 (2001)
Tony Davies, Tom Fearn

Tony Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Tom Fearn

Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK

Tony Davies Column  |  Issue 13/4 (2001)
A.M.C. Davies

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich, NR4 6AA, UK

Tony Davies Column  |  Issue 13/2 (2001)
A.M.C. Davies, Tom Fearn

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Tom Fearn

Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK

Download code used in column (26.52 Kb)

Tony Davies Column  |  Issue 12/6 (2000)
A.M.C. Davies, Tom Fearn

At the end of the last column we promised that this time we would show how matrix algebra can be used for real computational tasks. The chosen task is Fourier transformation (FT) of a near infrared (NIR) spectrum. Those who know Tony Davies will not be surprised at this choice of subject but in the third lesson the reason for wanting to do the obvious will become apparent.

Tony Davies Column  |  Issue 12/4 (2000)
Paul Geladi

Paul Geladi

Department of Organic Chemistry, Umeå University, Sweden

Tony Davies Column  |  Issue 9/4 (1997)

The very first Tony Davies Column.

Tony Davies Column  |  Issue 4/2 (1992)
Tony Davies

Tony Davies tackles a crucial concept in chemometrics: the way in which data was collected may not be the best form for analysing it.

Tony Davies Column  |  Issue 2/1 (1990)