Chemometric Space Articles from NIR news


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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Volume 14 Issue 4 Pages 12–0 (2003)
doi: 10.1255/nirn.727
Getting rid of noise by smoothing
Tom Fearn
University College London, UK

Volume 14 Issue 3 Pages 12–0 (2003)
doi: 10.1255/nirn.718
Calibrating for a cut-off: quantitative or qualitative?
Tom Fearn
University College London, UK

Volume 14 Issue 2 Pages 6–0 (2003)
doi: 10.1255/nirn.704
On angles, distances and correlations
Tom Fearn
University College London, UK

Volume 14 Issue 1 Pages 14–0 (2003)
doi: 10.1255/nirn.701
Spreading the word
Tom Fearn
University College London, UK

Volume 13 Issue 6 Pages 12–0 (2002)
doi: 10.1255/nirn.689
Assessing calibrations: SEP,RPD, RER and R2
Tom Fearn
University College London, UK

Volume 13 Issue 5 Pages 13–0 (2002)
doi: 10.1255/nirn.682
To average or not to average
Tom Fearn
University College London, UK

Volume 13 Issue 4 Pages 20–0 (2002)
doi: 10.1255/nirn.676
How reliable is an RMSEP from a validation set?
Tom Fearn
University College London, UK

Volume 13 Issue 3 Pages 4–0 (2002)
doi: 10.1255/nirn.662
Randomisation
Tom Fearn
University College London, UK

Volume 13 Issue 2 Pages 15–0 (2002)
doi: 10.1255/nirn.660
O2-PLS
Tom Fearn
University College London, UK

Volume 13 Issue 1 Pages 7–0 (2002)
doi: 10.1255/nirn.645
Models, predictions and overfitting
Tom Fearn
University College London, UK

Volume 12 Issue 6 Pages 14–0 (2001)
doi: 10.1255/nirn.642
Linearity
Tom Fearn
University College London, UK

Volume 12 Issue 5 Pages 10–0 (2001)
doi: 10.1255/nirn.631
Two-dimensional correlation spectroscopy
Tom Fearn
University College London, UK

Volume 12 Issue 4 Pages 9–0 (2001)
doi: 10.1255/nirn.624
Covariances
Tom Fearn
University College London, UK

Volume 12 Issue 3 Pages 10–0 (2001)
doi: 10.1255/nirn.614
Local or global?
Tom Fearn
University College London, UK

Volume 12 Issue 2 Pages 10–0 (2001)
doi: 10.1255/nirn.608
Hirshfeld award lecture. Chemometrics for NIR spectroscopy: past present and future
Tom Fearn
University College London, UK

Volume 12 Issue 1 Pages 8–0 (2001)
doi: 10.1255/nirn.597
Taguchi methods
Tom Fearn
University College London, UK

Volume 11 Issue 6 Pages 14–0 (2000)
doi: 10.1255/nirn.593
Savitzky-Golay filters
Tom Fearn
University College London, UK

Volume 11 Issue 5 Pages 5–0 (2000)
doi: 10.1255/nirn.580
The jackknife
Tom Fearn
University College London, UK

Volume 11 Issue 4 Pages 14–0 (2000)
doi: 10.1255/nirn.578
When in doubt, take logs
Tom Fearn
University College London, UK

Volume 11 Issue 3 Pages 14–0 (2000)
doi: 10.1255/nirn.569
Plotting to assess normality
Tom Fearn
University College London, UK

Volume 11 Issue 2 Pages 4–0 (2000)
doi: 10.1255/nirn.557
Logistic regression
Tom Fearn
University College London, UK

Volume 11 Issue 1 Pages 14–0 (2000)
doi: 10.1255/nirn.555
r2 and R2
Tom Fearn
University College London, UK

Volume 10 Issue 6 Pages 8–0 (1999)
doi: 10.1255/nirn.544
Components of error and adjusting for attenuation, or how to improve your r2 without really trying
Tom Fearn
University College London, UK

Volume 10 Issue 5 Pages 8–0 (1999)
doi: 10.1255/nirn.535
Hidden variables and partial correlations
Tom Fearn
University College London, UK

Volume 10 Issue 4 Pages 13–0 (1999)
doi: 10.1255/nirn.531
More samples or more replicate analyses?
Tom Fearn
University College London, UK

Volume 10 Issue 3 Pages 10–0 (1999)
doi: 10.1255/nirn.519
A look at some standard pre-treatments for spectra
Tom Fearn
University College London, UK

Volume 10 Issue 2 Pages 9–0 (1999)
doi: 10.1255/nirn.511
Orthogonal signal correction
Tom Fearn
University College London, UK

Volume 10 Issue 1 Pages 7–0 (1999)
doi: 10.1255/nirn.502
Least squares
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 4–0 (1998)
doi: 10.1255/nirn.491
Bias
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 10–0 (1998)
doi: 10.1255/nirn.485
Wavelets
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 9–0 (1998)
doi: 10.1255/nirn.477
Which way round? Classical and inverse calibration
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 6–0 (1998)
doi: 10.1255/nirn.468
Which way round? A tale of two regressions
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 8–0 (1998)
doi: 10.1255/nirn.462
Qualitative analysis III
Tom Fearn
University College London, UK

Volume 9 Issue 1 Pages 3–0 (1998)
doi: 10.1255/nirn.451
Qualitative analysis II
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 4–0 (1997)
doi: 10.1255/nirn.443
Qualitative analysis I
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 7–0 (1997)
doi: 10.1255/nirn.436
Calibration transfer without standards
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 3–0 (1997)
doi: 10.1255/nirn.422
On loadings and loading weights
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 8–0 (1997)
doi: 10.1255/nirn.414
Selecting wavelengths using genetic algorithms
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 4–0 (1997)
doi: 10.1255/nirn.404
Wavelength selection for multiple regression
Tom Fearn
University College London, UK

Volume 8 Issue 1 Pages 7–0 (1997)
doi: 10.1255/nirn.395
Validation
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 7–0 (1996)
doi: 10.1255/nirn.387
X = TP + E
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 5–0 (1996)
doi: 10.1255/nirn.378
Comparing standard deviations
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 3–0 (1996)
doi: 10.1255/nirn.368
Monitoring calbirations
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 3–0 (1996)
doi: 10.1255/nirn.357
Why principal components programs never agree
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 3–0 (1996)
doi: 10.1255/nirn.347
How accurate can you get?
Tom Fearn
University College London, UK

Volume 7 Issue 1 Pages 3–0 (1996)
doi: 10.1255/nirn.338
The value of plots
Tom Fearn
University College London, UK

Volume 6 Issue 1 Pages 3–0 (1995)
doi: 10.1255/nirn.328
Splitting of calibration data into linear subgroups
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 6 Issue 1 Pages 15–0 (1995)
doi: 10.1255/nirn.327
Extending PCR to data sets with more spectra than reference values
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 6 Issue 1 Pages 4–0 (1995)
doi: 10.1255/nirn.313
Adjusting for non-linearities in calibration using principal components
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 6 Issue 1 Pages 2–0 (1995)
doi: 10.1255/nirn.301
Neural networks as calibration methods
Inge Helland and Knut Kvaal
MATFORSK, Norway

Volume 6 Issue 1 Pages 8–0 (1995)
doi: 10.1255/nirn.295
Updating PLS calibration models
Kristian Helland
SINTEF Applied Chemistry, Norway

Volume 6 Issue 1 Pages 13–0 (1995)
doi: 10.1255/nirn.288
Selection of samples for calibration using spectral information
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 5 Issue 1 Pages 16–0 (1994)
doi: 10.1255/nirn.281
Selection of samples for calibration
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 5 Issue 1 Pages 8–0 (1994)
doi: 10.1255/nirn.269
Some modifications of locally weighted regression (LWR)
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 5 Issue 1 Pages 7–0 (1994)
doi: 10.1255/nirn.258
The idea behind and algorithm for locally weighted regression (LWR)
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 5 Issue 1 Pages 13–0 (1994)
doi: 10.1255/nirn.252
Some aspects of scatter-correction in calibration. Part II
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 5 Issue 1 Pages 4–0 (1994)
doi: 10.1255/nirn.237
Some aspects of scatter-correction in calibration. Part I
Tormod Nęs and Tomas Isaksson
MATFORSK, 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 Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 4 Issue 1 Pages 3–0 (1993)
doi: 10.1255/nirn.216
Sources of non-linearity in near infrared methods
Charles E. Miller
DuPont , USA

Volume 4 Issue 1 Pages 4–0 (1993)
doi: 10.1255/nirn.206
Discriminant analysis
Tom Fearn
University College London, UK

Volume 4 Issue 1 Pages 14–0 (1993)
doi: 10.1255/nirn.203
Standardisation: What is it and how is it done? Part 2
Thomas Dean and Tomas Isakkson
University of Washington and MATFORSK, Norway

Volume 4 Issue 1 Pages 14–0 (1993)
doi: 10.1255/nirn.193
Non-linearity problems in NIR spectroscopy
Tormod Nęs and Tomas Isaksson
MATFORSK, 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 Isakkson
University of Washington, USA

Volume 4 Issue 1 Pages 8–0 (1993)
doi: 10.1255/nirn.166
Cross-validation and leverage-correction revisited
Tormod Nęs and Marit Risberg Ellekjaer
MATFORSK, Norway

Volume 3 Issue 1 Pages 6–0 (1992)
doi: 10.1255/nirn.155
The relation between SEP and confidence intervals
Tormod Nęs and Marit Risberg Ellekjaer
MATFORSK, Norway

Volume 3 Issue 1 Pages 8–0 (1992)
doi: 10.1255/nirn.147
How can outliers be detected in NIR spectroscopy?
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 3 Issue 1 Pages 12–0 (1992)
doi: 10.1255/nirn.136
The importance of outlier detection in NIR spectroscopy
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 3 Issue 1 Pages 7–0 (1992)
doi: 10.1255/nirn.124
Interpreting principal components in NIR spectroscopy
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 3 Issue 1 Pages 10–0 (1992)
doi: 10.1255/nirn.115
Data compression by Fourier transforms
Fred McClure and Tony Davies
North Carolina State Univ. and Tony Davies Norwich NIR Consultancy, UK

Volume 3 Issue 1 Pages 10–0 (1992)
doi: 10.1255/nirn.104
Data compression by PLS/PCR
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 2 Issue 1 Pages 10–0 (1991)
doi: 10.1255/nirn.94
Multicollinearity and the need for data reduction
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 2 Issue 1 Pages 10–0 (1991)
doi: 10.1255/nirn.82
Fitting, prediction testing, cross-validation or leverage correction?
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 2 Issue 1 Pages 16–0 (1991)
doi: 10.1255/nirn.71
SEP or RMSEP, which is best?
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway

Volume 2 Issue 1 Pages 16–0 (1991)
doi: 10.1255/nirn.60
How should SEL be defined?
Tormod Nęs and Tomas Isaksson
MATFORSK, Norway