Articles
Olive oil as seen by NMR and chemometrics
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
Doing it faster and smarter (Lesson 6 of Matrix Algebra)
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
Sorting the wheat from the chaff
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
Vectorisation in Matrix Algebra [Lesson 5 of Matrix Algebra (Vectorisation)]
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
A very simple multivariate calibration [Lesson 4 of matrix algebra (matrix inversion)]
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
Uncertainty testing in PLS regression
A.M.C. Davies
Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich, NR4 6AA, UK
Changing scales with Fourier transformation [Lesson 3 of matrix algebra (matrix multiplication)]
In the last column, we showed how we could perform Fourier transformation (FT) of a near-infrared (NIR) spectrum in a few lines of matrix algebra and said that in this column we would use it in a novel way. The task we are going to perform is that of changing scales of spectroscopic (NIR) data. This may be novel, we are not aware that anyone else does it this way, but of course instrument manufacturers sometimes like to be silent about the methods they employ.
The TDeious way of doing Fourier transformation (Lesson 2 of matrix algebra)
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.
CHEMO in Chemometrics
This is a loose collection of thoughts about the "chemo" in Chemometrics. The reader should not try to find too much structure in the text. The topic is much too wide to be treated in full in such a limited space. So there is no promise of an exhaustive treatment, but it is hoped that the ideas expressed here may serve as a source of inspiration for readers.
The principles of principal component analysis
The very first Tony Davies Column.
Cutting the data cake: having your cake and sampling it
Tony Davies tackles a crucial concept in chemometrics: the way in which data was collected may not be the best form for analysing it.