NIR news
Current Issue:
Vol. 23 No. 4 (2012)
NIR news is the official newsletter of the International Council for Near Infrared Spectroscopy. It informs, educates and keeps you up-to-date with developments and conferences throughout the world on Near Infrared Spectroscopy and technology. NIR news is published eight times a year. A team of Regional Editors in Australia, Europe, Japan and North America helps to ensure that NIR news has an international outlook, which is supplemented with news of NIR groups in different countries.
Regular features
- Chemometric Space—all you need to know about chemometrics, written by Tom Fearn.
- Feature articles are published in each issue on topics of current or general interest to those working with NIR.
- References keep you aware of research papers found in a multitude of journals; around 6500 have been published. (only available in print edition)
- The Forum, is the subscribers' "voice" concerning articles which have appeared in NIR news or current topics from conferences.
- The Pharmaceutical Validation Column discusses issues related to validation of NIR methods.
- Speaking Theoretically ... discusses diffuse reflection theory.
- Imaging Column an occasional column looking at the technology and applications of NIR imaging.
Subscriptions and Ordering
NIR news is available in print and online and online only format. Subscribers to the print edition receive online access at no extra cost. For those who do not have a subscription history to this newsletter and wish to access the back issues then we offer an enhanced access package which can be added to your subscription. For more information.
Interested in publishing in NIR news?
NIR news does not publish peer-reviewed papers: the Journal of Near Infrared Spectroscopy is the place to publish such papers. However, we are pleased to hear from potential authors who would like to write an article on a particularly innovative or important application, or who would like to give an overview of recent significant research. Please contact the Editor, Gerry Downey (gerard.downey@nirnews.com), to discuss your contribution.
Pages 3–16
doi: 10.1255/nirn.1304
News
Editorial staff
Pages 4–5
doi: 10.1255/nirn.1305
Interview: Benoît Igne
Gerry
Downey
Pages 6–7
doi: 10.1255/nirn.1306
Single seed NIR as a fast method to predict
germination ability in Pak Choi
René Gislum, Lise C. Deleuran, Merete H. Olesen, Svend Tveden-Nyborg and Birte Boelt
Aarhus University, Science and Technology, Department of Agroecology, 4200 Slagelse, Denmark. E-mail: rene.gislum@agrsci.dk
Aarhus University, Science and Technology, Department of Agroecology, 4200 Slagelse, Denmark. E-mail: rene.gislum@agrsci.dk
Pages 8–10
doi: 10.1255/nirn.1307
Classical least squares for quantitative analysis of
pharmaceutical solid dosage forms:
Part 1—Effect of experimental design
Robert W. Bondi, Jr, Benoît Igne, Carl A. Anderson and James K. Drennen, III
Duquesne University Center for Pharmaceutical Technology, USA
Duquesne University Center for Pharmaceutical Technology, USA
Pages 11–16
doi: 10.1255/nirn.1308
Implications of the biochemical, chemical and
optical
properties of a sample on the analysis of high moisture
foods by NIR spectroscopy
D. Cozzolino
The University of Adelaide, Barley Quality Research Lab, School of Agriculture, Food and Wine, Waite Campus, Urrbrae 5064, Australia. E-mail: d.cozzolino@adelaide.edu.au
The University of Adelaide, Barley Quality Research Lab, School of Agriculture, Food and Wine, Waite Campus, Urrbrae 5064, Australia. E-mail: d.cozzolino@adelaide.edu.au
Pages 13–15
doi: 10.1255/nirn.1309
Mythbusters in Chemometrics: The
“correct number” of components—
facts, mystifications and myths
Kim H. Esbensen,a Paul Geladib and Anders Larsenc
aGeological Survey of Denmark and Greenland (GEUS), Denmark
bSwedish University of Agricultural Sciences, Umeå, Sweden
cQ-Interline, Denmark
aGeological Survey of Denmark and Greenland (GEUS), Denmark
bSwedish University of Agricultural Sciences, Umeå, Sweden
cQ-Interline, Denmark
Pages 17–18
doi: 10.1255/nirn.1310
Chemometric Space: An introduction
to Bayesian statistics, Part 2: learning from data
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Techniques:
Volume 23 Issue 4 Pages 17–18 (2012)
doi: 10.1255/nirn.1310
Chemometric Space: An introduction
to Bayesian statistics, Part 2: learning from data
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 23 Issue 3 Pages 18–19 (2012)
doi: 10.1255/nirn.1303
An introduction to Bayesian statistics,
Part 1: Conditional probabilities and Bayes theorem
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 23 Issue 2 Pages 19–20 (2012)
doi: 10.1255/nirn.1296
OSC and OPLS
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 23 Issue 1 Pages 20–21 (2012)
doi: 10.1255/nirn.1288
Do my data need to be normally
distributed?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 8 Pages 16–17 (2011)
doi: 10.1255/nirn.1279
Limitations of Mahalanobis and H
distances
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 7 Pages 16–17 (2011)
doi: 10.1255/nirn.1273
Comparing classification success
rates
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 6 Pages 12–14 (2011)
doi: 10.1255/nirn.1265
Improving accuracy by rejecting
outliers?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 5 Pages 19–20 (2011)
doi: 10.1255/nirn.1260
Functional boxplots
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 4 Pages 15–16 (2011)
doi: 10.1255/nirn.1252
Partial least squares regression
versus multiple linear regression
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 3 Pages 22–23 (2011)
doi: 10.1255/nirn.1246
Principal component analysis and
classification
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 2 Pages 17–20 (2011)
doi: 10.1255/nirn.1238
Cross-validation and nested data
structures
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 22 Issue 1 Pages 18–19 (2011)
doi: 10.1255/nirn.1229
Multivariate curve resolution
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 8 Pages 19–20 (2010)
doi: 10.1255/nirn.1218
Paired and two-sample t-tests
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 6 Pages 16–16 (2010)
doi: 10.1255/nirn.1202
Chemometric Space: Small
correlations can be useful
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 5 Pages 14–15 (2010)
doi: 10.1255/nirn.1194
Chemometric Space: Double cross-
validation
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 4 Pages 11–12 (2010)
doi: 10.1255/nirn.1187
Optimal sampling schemes
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 3 Pages 13–14 (2010)
doi: 10.1255/nirn.1181
Chemometric Space:
ANOVA—nested models and components of variance
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 2 Pages 13–16 (2010)
doi: 10.1255/nirn.1175
Combining other predictors with NIR
spectra
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 21 Issue 1 Pages 12–14 (2010)
doi: 10.1255/nirn.1167
Mahalanobis and Euclidean
distances
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 8 Pages 16–16 (2009)
doi: 10.1255/nirn.1159
The importance of experimental
design
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 7 Pages 24–25 (2009)
doi: 10.1255/nirn.1153
Comparing standard deviations
(continued)
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 6 Pages 15–16 (2009)
doi: 10.1255/nirn.1146
The effect of spectral pre-treatments
on interpretation
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 5 Pages 16–17 (2009)
doi: 10.1255/nirn.1139
Chemometric Space: Regression
statistics in discriminant analysis
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 4 Pages 16–16 (2009)
doi: 10.1255/nirn.1132
Chemometric Space: Sensitivity and
specificity
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 3 Pages 14–15 (2009)
doi: 10.1255/nirn.1125
Subtracting dimensions, part 3
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 2 Pages 15–16 (2009)
doi: 10.1255/nirn.1119
Subtracting dimensions, part 2
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 20 Issue 1 Pages 16–17 (2009)
doi: 10.1255/nirn.1113
Subtracting dimensions, part 1
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 8 Pages 17–17 (2008)
doi: 10.1255/nirn.1106
Cross-validation: how many should we
leave out?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 7 Pages 16–17 (2008)
doi: 10.1255/nirn.1098
The interaction between standard
normal variate and derivatives
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 6 Pages 15–16 (2008)
doi: 10.1255/nirn.1093
Interpreting coefficient vectors
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 5 Pages 19–19 (2008)
doi: 10.1255/nirn.1087
Chemometric Space: Bias and
variance
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 4 Pages 15–16 (2008)
doi: 10.1255/nirn.1080
Interpreting z- and t-statistics
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 3 Pages 13–14 (2008)
doi: 10.1255/nirn.1073
Independent component analysis
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 2 Pages 16–17 (2008)
doi: 10.1255/nirn.1068
Assigning signs to principal
components
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 19 Issue 1 Pages 16–17 (2008)
doi: 10.1255/nirn.1061
Design of experiments 6:
Evolutionary Operation (EVOP)
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 8 Pages 16–17 (2007)
doi: 10.1255/nirn.1055
Flat calibration sets: at what price?
Tom Fearn
Department of Statistical Sciences, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Sciences, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 7 Pages 14–15 (2007)
doi: 10.1255/nirn.1048
Design of experiments 5: response
surface designs
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 6 Pages 12–13 (2007)
doi: 10.1255/nirn.1040
On SIMCA and measuring distances
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 5 Pages 14–15 (2007)
doi: 10.1255/nirn.1035
Design of experiments 4: fractional
factorial designs
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 4 Pages 18–18 (2007)
doi: 10.1255/nirn.1026
Design of experiments 3:
2k factorial designs
Tom Fearn
Department of Statistical Sciece, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Sciece, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 3 Pages 14–15 (2007)
doi: 10.1255/nirn.1020
Design of experiments 2: factorial
designs
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 2 Pages 13–13 (2007)
doi: 10.1255/nirn.1013
Design of experiments 1:
Introduction
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 18 Issue 1 Pages 11–12 (2007)
doi: 10.1255/nirn.1004
Boosting
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 8 Pages 15–15 (2006)
doi: 10.1255/nirn.938
Bagging
Tom
Fearn
Department of Statistical Scierce, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Scierce, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 7 Pages 12–12 (2006)
doi: 10.1255/nirn.925
Chemometrics and NIR 1990-2020
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 6 Pages 13–14 (2006)
doi: 10.1255/nirn.917
Classification and regression trees
(CART)
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 5 Pages 15–20 (2006)
doi: 10.1255/nirn.908
Diagnostics 3: leave-one-out residuals
and leverage correction
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 4 Pages 15–16 (2006)
doi: 10.1255/nirn.900
Diagnostics 2: leverage and the hat
matrix
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 17 Issue 3 Pages 5–5 (2006)
doi: 10.1255/nirn.887
Diagnostics 1: plotting y-residuals
Tom Fearn
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Volume 17 Issue 2 Pages 7–7 (2006)
doi: 10.1255/nirn.879
Plotting observed versus fitted
reference values
Tom Fearn
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Volume 17 Issue 1 Pages 15–15 (2006)
doi: 10.1255/nirn.875
Latin squares
Tom
Fearn
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT UK
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT UK
Volume 16 Issue 8 Pages 6–7 (2005)
doi: 10.1255/nirn.863
Decision boundaries
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 7 Pages 17–19 (2005)
doi: 10.1255/nirn.856
Chemometrics: an enabling tool for
NIR
Tom Fearn
Department of Statistical Science University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 6 Pages 5–8 (2005)
doi: 10.1255/nirn.842
Degrees of Freedom
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 5 Pages 7–8 (2005)
doi: 10.1255/nirn.834
Calculating standard deviations
Tom Fearn
Deartment of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Deartment of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 4 Pages 3–5 (2005)
doi: 10.1255/nirn.824
Extended multiplicative scatter
correction
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 3 Pages 4–6 (2005)
doi: 10.1255/nirn.815
Support vector machines V: exploiting
inner products
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 2 Pages 11–12 (2005)
doi: 10.1255/nirn.811
Support vector machines IV: penalised
regression
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 16 Issue 1 Pages 8–9 (2005)
doi: 10.1255/nirn.800
Support vector machines III: non-
linear classifiers
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 15 Issue 6 Pages 8–9 (2004)
doi: 10.1255/nirn.792
Support vector machines II: The
support vector classifier with overlapping groups
Tom Fearn
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Stree, London WC1E 6BT, UK
Volume 15 Issue 5 Pages 14–15 (2004)
doi: 10.1255/nirn.788
Support vector machines I: The support
vector classifier
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 15 Issue 4 Pages 14–15 (2004)
doi: 10.1255/nirn.779
Towards a standard terminology?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 15 Issue 3 Pages 12–13 (2004)
doi: 10.1255/nirn.770
Multivariate quality control
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 15 Issue 2 Pages 12–13 (2004)
doi: 10.1255/nirn.760
Error rates in classification and the
effect of unequal group sizes
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 15 Issue 1 Pages 14–15 (2004)
doi: 10.1255/nirn.753
Fitting equations with more than one
intercept
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 14 Issue 6 Pages 9–11 (2003)
doi: 10.1255/nirn.742
Are two pretreatments better than
one?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 14 Issue 5 Pages 8–9 (2003)
doi: 10.1255/nirn.734
Interpreting loadings and coefficient
vectors in PCR and PLS
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 14 Issue 4 Pages 12–16 (2003)
doi: 10.1255/nirn.727
Getting rid of noise by smoothing
Tom Fearn
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Volume 14 Issue 3 Pages 12–12 (2003)
doi: 10.1255/nirn.718
Calibrating for a cut-off: quantitative
or qualitative?
Editorial Staff
Volume 14 Issue 2 Pages 6–7 (2003)
doi: 10.1255/nirn.704
On angles, distances and
correlations
Tom Fearn
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Volume 14 Issue 1 Pages 14–14 (2003)
doi: 10.1255/nirn.701
Spreading the word
Tom
Fearn
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Volume 13 Issue 6 Pages 12–14 (2002)
doi: 10.1255/nirn.689
Assessing calibrations: SEP, RPD, RER
and R2
Tom Fearn
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London,Gower Street, London WC1E 6BT, UK
Volume 13 Issue 5 Pages 13–14 (2002)
doi: 10.1255/nirn.682
To average or not to average
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 13 Issue 4 Pages 20–21 (2002)
doi: 10.1255/nirn.676
How reliable is an RMSEP from a
validation set?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London Wc1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London Wc1E 6BT, UK
Volume 13 Issue 3 Pages 4–5 (2002)
doi: 10.1255/nirn.662
Randomisation
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London, WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London, WC1E 6BT, UK
Volume 13 Issue 2 Pages 15–15 (2002)
doi: 10.1255/nirn.660
O2-PLS
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 13 Issue 1 Pages 7–9 (2002)
doi: 10.1255/nirn.645
Models, predictions and overfitting
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 6 Pages 14–15 (2001)
doi: 10.1255/nirn.642
Linearity
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 5 Pages 10–12 (2001)
doi: 10.1255/nirn.631
Two-dimensional correlation
spectroscopy
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 4 Pages 9–13 (2001)
doi: 10.1255/nirn.624
Covariances
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 3 Pages 10–11 (2001)
doi: 10.1255/nirn.614
Local or global?
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 2 Pages 10–12 (2001)
doi: 10.1255/nirn.608
Hirshfeld award lecture.
Chemometrics for NIR spectroscopy: past present and future
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 12 Issue 1 Pages 8–9 (2001)
doi: 10.1255/nirn.597
Taguchi methods
Tom
Fearn
Volume 11 Issue 6 Pages 14–15 (2000)
doi: 10.1255/nirn.593
Savitzky-Golay filters
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 11 Issue 5 Pages 5–6 (2000)
doi: 10.1255/nirn.580
The jackknife
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 11 Issue 4 Pages 14–15 (2000)
doi: 10.1255/nirn.578
When in doubt, take logs
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 11 Issue 3 Pages 14–15 (2000)
doi: 10.1255/nirn.569
Plotting to assess normality
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 11 Issue 2 Pages 4–5 (2000)
doi: 10.1255/nirn.557
Logistic regression
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 11 Issue 1 Pages 14–15 (2000)
doi: 10.1255/nirn.555
r2 and
R2
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 6 Pages 8–9 (1999)
doi: 10.1255/nirn.544
Components of error and adjusting
for attenuation, or how to improve your r2 without really trying
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 5 Pages 8–9 (1999)
doi: 10.1255/nirn.535
Hidden variables and partial
correlations
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 4 Pages 13–14 (1999)
doi: 10.1255/nirn.531
More samples or more replicate
analyses?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 3 Pages 10–11 (1999)
doi: 10.1255/nirn.519
A look at some standard pre-
treatments for spectra
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 2 Pages 9–9 (1999)
doi: 10.1255/nirn.511
Orthogonal signal correction
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 10 Issue 1 Pages 7–13 (1999)
doi: 10.1255/nirn.502
Least squares
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 4–4 (1998)
doi: 10.1255/nirn.491
Bias
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 10–12 (1998)
doi: 10.1255/nirn.485
Wavelets
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 9–13 (1998)
doi: 10.1255/nirn.477
Which way round? Classical and
inverse calibration
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 6–7 (1998)
doi: 10.1255/nirn.468
Which way round? A tale of two
regressions
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 8–9 (1998)
doi: 10.1255/nirn.462
Qualitative analysis III
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 9 Issue 1 Pages 3–4 (1998)
doi: 10.1255/nirn.451
Qualitative analysis II
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 4–5 (1997)
doi: 10.1255/nirn.443
Qualitative analysis I
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 7–8 (1997)
doi: 10.1255/nirn.436
Calibration transfer without standards
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 3–0 (1997)
doi: 10.1255/nirn.422
On loadings and loading weights
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 8–9 (1997)
doi: 10.1255/nirn.414
Selecting wavelengths using genetic
algorithms
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 4–9 (1997)
doi: 10.1255/nirn.404
Wavelength selection for multiple
regression
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 8 Issue 1 Pages 7–8 (1997)
doi: 10.1255/nirn.395
Validation
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 7–8 (1996)
doi: 10.1255/nirn.387
X = TP + E
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 5–6 (1996)
doi: 10.1255/nirn.378
Comparing standard deviations
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 3–4 (1996)
doi: 10.1255/nirn.368
Monitoring calbirations
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 3–4 (1996)
doi: 10.1255/nirn.357
Why principal components programs
never agree
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 3–3 (1996)
doi: 10.1255/nirn.347
How accurate can you get?
Tom Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 7 Issue 1 Pages 3–5 (1996)
doi: 10.1255/nirn.338
The value of plots
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 6 Issue 1 Pages 3–5 (1995)
doi: 10.1255/nirn.328
Splitting of calibration data into linear
subgroups
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 6 Issue 1 Pages 15–16 (1995)
doi: 10.1255/nirn.327
Extending PCR to data sets with more
spectra than reference values
Tormod Næs and Tomas Isaksson
MATFORSK, Osloveien 1, N-1430 Ås, Norway
MATFORSK, Osloveien 1, N-1430 Ås, Norway
Volume 6 Issue 1 Pages 4–5 (1995)
doi: 10.1255/nirn.313
Adjusting for non-linearities in
calibration using principal components
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Å, Norway
MATFORSK, Oslovegen 1, N-1430 Å, Norway
Volume 6 Issue 1 Pages 2–3 (1995)
doi: 10.1255/nirn.301
Neural networks as calibration methods
Inge Helland and Knut Kvaal
MATFORSK—Norwegian Food Research Institute, Ås, Norway
MATFORSK—Norwegian Food Research Institute, Ås, Norway
Volume 6 Issue 1 Pages 8–13 (1995)
doi: 10.1255/nirn.295
Updating PLS calibration models
Kristian Helland
SINTEF Applied Chemistry, 7034 Trondheim, Norway
SINTEF Applied Chemistry, 7034 Trondheim, Norway
Volume 6 Issue 1 Pages 13–14 (1995)
doi: 10.1255/nirn.288
Selection of samples for calibration
using spectral information
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 5 Issue 1 Pages 16–17 (1994)
doi: 10.1255/nirn.281
Selection of samples for calibration
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 5 Issue 1 Pages 8–9 (1994)
doi: 10.1255/nirn.269
Some modifications of locally
weighted regression (LWR)
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 5 Issue 1 Pages 7–8 (1994)
doi: 10.1255/nirn.258
The idea behind and algorithm for
locally weighted regression (LWR)
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 5 Issue 1 Pages 13–14 (1994)
doi: 10.1255/nirn.252
Some aspects of scatter-correction in
calibration. Part II
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 5 Issue 1 Pages 4–15 (1994)
doi: 10.1255/nirn.237
Some aspects of scatter-correction in
calibration. Part I
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, 1430 Ås, Norway
MATFORSK, Oslovegen 1, 1430 Ås, Norway
Volume 5 Issue 1 Pages 4–0 (1994)
doi: 10.1255/nirn.227
Different strategies for handling non-
linearity problems in NIR calibration
Tormod Næ and Tomas Isaksson
MATFORSK, Oslovegen 1, 1430 Ås, Norway
MATFORSK, Oslovegen 1, 1430 Ås, Norway
Volume 4 Issue 1 Pages 3–5 (1993)
doi: 10.1255/nirn.216
Sources of non-linearity in near
infrared methods
Charles E. Miller
DuPont, Packaging and Industrial Polymers Research, PO Box 1089, Building 10, Orange, Texas 77631-1089, USA
DuPont, Packaging and Industrial Polymers Research, PO Box 1089, Building 10, Orange, Texas 77631-1089, USA
Volume 4 Issue 1 Pages 4–5 (1993)
doi: 10.1255/nirn.206
Discriminant analysis
Tom
Fearn
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK
Volume 4 Issue 1 Pages 14–15 (1993)
doi: 10.1255/nirn.203
Standardisation: What is it and how is it
done? Part 2
Thomas Dean
Center for Process Analytical Chemistry, Laboratory for Chemometrics, Department of Chemistry, University of Washington, BG-10, Seattle, WA 98195, USA
Tomas Isaksson
MATFORSK, Norwegian Food Research Institute, Oslovegen 1, N-1430 Ås, Norway
Center for Process Analytical Chemistry, Laboratory for Chemometrics, Department of Chemistry, University of Washington, BG-10, Seattle, WA 98195, USA
Tomas Isaksson
MATFORSK, Norwegian Food Research Institute, Oslovegen 1, N-1430 Ås, Norway
Volume 4 Issue 1 Pages 14–15 (1993)
doi: 10.1255/nirn.193
Non-linearity problems in NIR
spectroscopy
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, 1430 Ås, Norway
MATFORSK, Oslovegen 1, 1430 Ås, Norway
Volume 4 Issue 1 Pages 8–0 (1993)
doi: 10.1255/nirn.177
Standardisation: What is it and how is it
done? Part 1
Thomas Dean & Tomas Isaakson
University of Washington, USA
University of Washington, USA
Volume 4 Issue 1 Pages 8–9 (1993)
doi: 10.1255/nirn.166
Cross-validation and leverage-
correction revisited
Tormod Næs and Marit Risberg Ellekjaer
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 3 Issue 1 Pages 6–7 (1992)
doi: 10.1255/nirn.155
The relation between SEP and
confidence intervals
Tormod Næs and Marit Risberg Ellekjaer
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 3 Issue 1 Pages 8–9 (1992)
doi: 10.1255/nirn.147
How can outliers be detected in NIR
spectroscopy?
Tormod Næsa and Tomas Isakssonb
MATFORSK, Oslovegen 1, N-1430 Ås; Norway
bDepartment of Chemistry, University of Washington, Seattle, WA 98195, USA
MATFORSK, Oslovegen 1, N-1430 Ås; Norway
bDepartment of Chemistry, University of Washington, Seattle, WA 98195, USA
Volume 3 Issue 1 Pages 12–13 (1992)
doi: 10.1255/nirn.136
The importance of outlier detection in
NIR spectroscopy
Tormod Næs and Tomas Isaksson
MATFORSK—Norwegian Food Research Institute, Ås, Norway
MATFORSK—Norwegian Food Research Institute, Ås, Norway
Volume 3 Issue 1 Pages 7–9 (1992)
doi: 10.1255/nirn.124
Interpreting principal components in
NIR spectroscopy
Tormod Næs and Tomas Isaksson
MATFORSK—Norwegian Food Research Institute, Ås, Norway
MATFORSK—Norwegian Food Research Institute, Ås, Norway
Volume 3 Issue 1 Pages 10–11 (1992)
doi: 10.1255/nirn.115
Data compression by Fourier
transforms
Fred McClure
North Carolina State University, Box 7625, Raleigh, NC 27695, USA
Tony Davies
Norwich NIR Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK
North Carolina State University, Box 7625, Raleigh, NC 27695, USA
Tony Davies
Norwich NIR Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK
Volume 3 Issue 1 Pages 10–11 (1992)
doi: 10.1255/nirn.104
Data compression by PLS/PCR
Tormod Næs and Tomas Isaksson
MATFORSK—Norwegian Food Research Institute, Ås, Norway
MATFORSK—Norwegian Food Research Institute, Ås, Norway
Volume 2 Issue 1 Pages 10–11 (1991)
doi: 10.1255/nirn.94
Multicollinearity and the need for
data reduction
Tormod Næs and Tomas Isaksson
MATFORSK—Norwegian Food Research Institute, Ås, Norway
MATFORSK—Norwegian Food Research Institute, Ås, Norway
Volume 2 Issue 1 Pages 10–11 (1991)
doi: 10.1255/nirn.82
Fitting, prediction testing, cross-
validation or leverage correction?
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 2 Issue 1 Pages 16–16 (1991)
doi: 10.1255/nirn.71
SEP or RMSEP, which is best?
Tormod Næs and Tomas Isaksson
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Oslovegen 1, N-1430 Ås, Norway
Volume 2 Issue 1 Pages 16–0 (1991)
doi: 10.1255/nirn.60
How should SEL be defined?
Tormod Næs and Tomas Isaksson
MATFORSK, Norwegian Food Research Institute, Oslovegen 1, N-1430 Ås, Norway
MATFORSK, Norwegian Food Research Institute, Oslovegen 1, N-1430 Ås, Norway
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