Informing Spectroscopists for Over 40 Years

Tony Davies Columns

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Back to basics: running your first PLS calibration

A.M.C. Davies

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK. [email protected]

Issue 18/6 (2006)

An evergreen problem in multivariate calibration

N.M. Faber, R. Rajkó

N.M. Faber,a,* and R. Rajkób

aChemometric Consultant, Rubensstraat 7, 6717 VD Ede, The Netherlands. [email protected]
bDepartment of Unit Operations and Food Engineering, Szeged College of Food Engineering, University of Szeged, H-6701 Szeged, POB 433, Hungary

Issue 18/5 (2006)

Back to basics: preparing for PLS calibration

A.M.C. Davies

A.M.C. Davies

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

Issue 18/4 (2006)

Prague ELN days 2006 The search for an electronic laboratory notebook for research and teaching

Tony Davies, John Trygg, Pavel Matĕjka, Karol Volka

Tony Davies,a John Trygg,b Pavel Matĕjkac and KarolVolka

aExternal Professor, University of Glamorgan, UK, Director, ALIS Ltd, Analytical Laboratory Informatics Solutions
bPhaseFour Informatics Limited, [email protected]
cDepartment of Analytical Chemistry, Institute of Chemical Technology, Technika 5, 166 28 Prague 6–Dejvice, The Czech Republic

Issue 18/3 (2006)

Back to basics: calibration statistics

A.M.C. Davies, Tom Fearn

A.M.C. Daviesa and Tom Fearnb

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

Issue 18/2 (2006)

To add or not to add: that is the question for your reference spectra prediction databases

Tony Davies, Wolfgang Robien, Jeff Seymour

Tony Davies,a Wolfgang Robienb and Jeff Seymourc

aExternal Professor, University of Glamorgan, UK, Director, ALIS Ltd, Analytical Laboratory Informatics Solutions
bInstitute for Organic Chemistry, University of Vienna, Austria
cModgraph Consultants, 1 Oakland View, Welwyn AL6 0RJ, UK

Issue 18/1 (2006)

Back to basics: observing PLS

A.M.C. Davies, Tom Fearn

A.M.C. Daviesa and Tom Fearnb

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

Issue 17/6 (2005)

Embedding spectra and structures in your web pages

Tony N. Davies, Robert J. Lancaster, Peter Lampen

Tony N. Davies,a Robert J. Lancasterb and Peter Lampenc

aExternal Professor, University of Glamorgan, UK
c/o Waters Informatics, Europaallee 27–29, 50226 Frechen, Germany
bUniversity of West Indies, Mona Campus, Jamaica
cISAS, Institute for Analytical Science, Bunsen-Kirchoff-Strasse 11, 44139 Dortmund, Germany

Issue 17/5 (2005)

Back to basics: when you need more than Principal Component Analysis

A.M.C. Davies, Tom Fearn

A.M.C. Daviesa and Tom Fearnb

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

Issue 17/4 (2005)

Electronic intellectual property

Tony Davies

Tony Davies

External Professor, University of Glamorgan, UK
c/o Waters Informatics, Europaallee 27–29, 50226 Frechen, Germany

Issue 17/3 (2005)

Back to basics: applications of principal component analysis

A.M.C. Davies

A.M.C. Davies

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

Issue 17/2 (2005)

Back to the future: total spectroscopic laboratory informatics

Tony Davies

Tony Davies

External Professor, University of Glamorgan, UK, c/o Waters Informatics, Europaallee 27–29, 50226 Frechen, Germany

Issue 17/1 (2005)

Back to basics: the principles of principal component analysis

A.M.C. Davies, Tom Fearn

PCA is a mathematical method of reorganising information in a data set of samples. It can be used when the set contains information from only a few variables but it becomes more useful when there are large numbers of variables, as in spectroscopic data.

Issue 16/6 (2004)

JCAMP-DX to Origin utility Tools for making spectra available to chemometricians

Peter Lampen, Tony Davies

Peter Lampena and Tony Daviesb

aISAS, Institute for Analytical Sciences, Bunsen-Kirchhoff-Str.11, 44139 Dortmund, Germany
bExternal Professor, University of Glamorgan, UK. c/o Waters Informatics, Europaallee 27–29, 50226 Frechen, Germany

Issue 16/5 (2004)

Independence rules (or Rules for independence)

A.M.C. Davies

A.M.C. Davies

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

Issue 16/4 (2004)

Analytical computing survey

Tony Davies

Tony Davies

External Professor, University of Glamorgan, UK c/o Waters Informatics, Europaallee 27–29, 50226 Frechen, Germany

Issue 16/3 (2004)

What is PAT?

A.M.C. Davies

A.M.C. Davies

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

Issue 16/2 (2004)

Analytical Laboratory Informatics 2004

Tony Davies

Tony Davies

External Professor, University of Glamorgan, UK, c/o Creon Lab Control AG, Europaallee 27–29 50226 Frechen, Germany

Issue 16/1 (2004)

A coloured version of the J-chart or the amc-D J-Chart

A.M.C. Davies

A.M.C. Davies

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

Issue 15/6 (2003)

AnIMLs in the spectroscopic laboratory?

Tony Davies, Peter Lampen, Maren Fiege, Thorsten Richter, Thorsten Fröhlich

Tony Davies,a Peter Lampen,b Maren Fiege,c Thorsten Richterc and Thorsten Fröhlichc

aExternal Professor, University of Glamorgan, UK. c/o Creon Lab Control AG, Europaallee 27-29 50226 Frechen, Germany
bISAS, institute for Spectrochemistry and Applied Spectroscopy, Dortmund, Germany
cCreon Lab Control AG, Europaallee 27-29 50226 Frechen, Germany

Issue 15/5 (2003)

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