Spectroscopy Europe - Tony Davies Column

Recent articles from this column are available in Adobe^® Acrobat^® format. You will need a copy of the Acrobat software to view the articles; this can be obtained free-of-charge from Adobe for most computer platforms and in a range of language versions:

The Tony Davies Column is edited by two people, both called Tony Davies! They are responsible for columns in alternate issues. A.M.C. (Tony) Davies (left) concentrates on the data processing and chemometrics associated with spectroscopy. A.N. (Tony) Davies’ (right) columns are concerned with data handling issues.

This picture was taken on the Spectroscopy Europe booth at Pittcon 2001.

Articles available

Back to basics: qualitative analysis, introduction (656 kB) April/May 2008

Who has the best proton NMR crystal ball? (312 kB) February/March 2008

Back to basics: the “final” calibration (1595 kB) December 2007/January 2008

Adobe PDF use in analytical information storage and archiving (1595 kB) October/November 2007

Back to basics: removing multiplicative effects (1) (3500 kB) August/September 2007)

Back to basics: spectral pre-treatments—derivatives (1295 kB) April/May 2007

eMolecules and spectroscopy (465 kB) February/March 2007

Back to basics: running your first PLS calibration (765 kB) December 2006/January 2007

An evergreen problem in multivariate calibration (1470 kB) October/November 2006

Back to basics: preparing for PLS calibration (92 kB) August/September 2006

Prague ELN days 2006 The search for an electronic laboratory notebook for research and teaching (76 kB) June/July 2006

Back to basics: calibration statistics (118 kB) April/May 2006

To add or not to add—that is the question for your reference spectra prediction databases (1034 kB) February/March 2006

Back to basics: observing PLS (169 kB) December 2005/January 2006

Embedding spectra and structures in your web pages (669 kB) October/November 2005
Old columns on similar subjects: Internet Chemial MIME, Setting up a chemically active Internet/Intranet web server

Back to basics: when you need more than Principal Component Analysis (693 kB) August/September 2005

Electronic intellectual property (385 kB) June/July 2005

Back to basics: applications of principal component analysis (226 kB) April/May 2005

Back to the future: total spectroscopic laboratory informatics (115 kB) February/March 2005

Back to basics:the principles of principal component analysis (855 kB) December 2004/January 2005

JCAMP-DX to Origin utility Tools for making spectra available to chemometricians (306 kB) October/November 2004

Independence rules (or Rules for independence) (161 kB) August/September 2004

Analytical computing survey (142 kB) June/July 2004

What is PAT? (61 kB) April/May 2004

Analytical Laboratory Informatics 2004 (451 kB) February/March 2004

A coloured version of the J-chart or the amc-D J-Chart (496 kB) December 2003/January 2004

AnIMLs in the spectroscopic laboratory? (2247 kB) October/November 2003

Eurospec goes live at Achema (2739 kB) June/July 2003

Kids and science (148 kB) February/March 2003.

Doing it faster and smarter (Lesson 6 of Matrix Algebra) (270 kB) December 2002/January 2003
You can download the code for the CROME program and example data as a ZIP file.

"Is near infrared spectroscopy only as good as the laboratory reference values?" An empirical approach (191 kB) August/September 2002

Cometh a digital dark age? (498 kB) June/July 2002

Sorting the wheat from the chaff (125 kB) April/May 2002

XML in chemistry (1245 kB) February/March 2002

Vectorisation in Matrix Algebra [Lesson 5 of Matrix Algebra (Vectorisation)] (62 kB) November/December 2001
and here are the answers for those of you who tried the Examples

An update on the International Spectroscopic Data Bank Project (78 kB) September/October 2001

A very simple multivariate calibration [Lesson 4 of matrix algebra (matrix inversion)] (76 kB) July/August 2001

Wavelength selection and probe design for the customisation of micro-spectrometers (502 kB) May/June 2001

Uncertainty testing in PLS regression (336 kB) March/April 2001

Online services for your desktop on a pay-as-you-surf principle—ACD/Labs I-Lab (604 kB) January/February 2001

Changing scales with Fourier transformation [Lesson 3 of matrix algebra (matrix multiplication)] (93 kB) November/December 2000
Download the code for this column as a MATLAB file; spectra 1 and 2 used are also available. Alternatively download the code and spectra as a single ZIP file.

More reference spectroscopic data on the Internet! FTIRsearch Nicolet/Galactic Industries new joint venture (506 kB) September/October 2000

The TDeious way of doing Fourier transformation (Lesson 2 of matrix algebra) (368 kB) July/August 2000
Download the code for this column as a MATLAB file; the spectrum used is also available.

Having your cake and eating it?—a new concept in reference spectroscopic database distribution (119 kB) July/August 2000

The magical world of matrix algebra (90 kB) March/April 2000

SpecInfo on the Internet (536 kB) January/February 2000

Data compression: FT or wavelet (254 kB) November/December 1999

Multidimensional data analysis—quantifying the hidden dimension (288 kB) September/October 1999

Some variations on a “Local” theme (53 kB) July/August 1999

Reporting NMR pulse sequences (108 kB) May/June 1999

Indicator variables: new life for an established (but neglected) technique (88 kB) March/April 1999

A new NMR data standard for the exchange and archiving for multi-dimensional data sets(80 kB) January/February 1999

More pictures from PLS regression analysis(120 kB) November/December 1998