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International Union of Pure and Applied Chemistry

Project wiki

Contents

A glossary of concepts and terms in chemometrics

Project: 2008-002-1-500 (see [1])

This wiki is designed to allow the creation of a list of terms in chemometrics that are consistent and have the support of a substantial cohort of the chemometrics community. Please register and then contribute to the entries. In the wiki spirit all entries are editable. If you believe an entry is wrong, or not the best, please replace with a better one and explain on the discussion page why you have made the change.

At some point the project team will take some of the terms and collate them into a Recommendation for publication in Pure and Applied Chemistry (PAC).

Please note, terms in this wiki are not IUPAC endorsed until they are published as recommendations in PAC

For an explanation of the IUPAC project see the paper in Analytica Chimica Acta (Hibbert, D. B.; Minkkinen, P.; Faber, N. M.; Wise, B. M., IUPAC project: A glossary of concepts and terms in chemometrics. Anal. Chim. Acta 2009, 642, (1-2), 3-5.) To learn about the IUPAC project system see [2]

The glossary starts with definitions of Chemometrics

What to do (briefly)

To find an entry either search (left) for it or look in a likely section (below).

If you want to add a new entry please create it by editing an existing section and adding the name, or create a new (and appropriate)section and add it to that. (See Mediawiki Handbookfor details)

If you want to change a definition completely, please move the old definition to the discussion page and add your reasons for changing it.

The definition of a term should use a template called Template:Definition. When you create a new term start the page (which should have only the title you linked to) with {{subst:Definition}} and then save it. This will populate the page with the common format. Then go back into the term (edit tab) and enter the definition, notes, examples and references.

To create a Section, please use Template:Section in a similar way ({{subst:Section}}). Note that a term can be linked from more than one section, or from other terms.

Glossary Sections

These sections are groups of page links to help users find the term they want. If you already know where you want to go, just search on the term.

Sections

These links are to pages organized by common classification schemes. We hope to use graphical 'concept diagrams' in the future.

Schemes for classifying chemometrics
By technique By data structure By application
Optimization(Section) Data Structure Experimental Design (Section)
Classification Univariate data Process analytical technology
Calibration Multivariate data Sampling (Section)
Data Preprocessing(Section) 2-way data Model selection
Mathematics Mathematics
Signal Processing
Pattern recognition (Section)
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