Ontology, Vocabularies, Metadata for Chemical Analysis
Welcome to the Chemical Analysis Metadata Platform website
This project is focused on defining the important metadata (data about data) needed to describe a chemical analysis methodology. The idea is to evaluate the current and future needs for accurate representation of both classical (wet chemical) and instrumental analysis procedures and present a unified approach to metadata nomenclature, data types, data structures and semantic annotation.
So what does that really mean? Well, in the growing movement toward semantic annotation of science data there is a real need to provide descriptors (metadata) for all parts of science. With the exponential growth in raw data, having descriptors allows researchers a way to easily (we hope) provide context to the work they are doing. So, because the area of chemical analysis is so broad, and that it is likely that many groups will try and create there own standards for contextualizing the area, this project aims to provide an extensible platform that:
- identifies key metadata for chemical analysis
- outlines recommended practices for reporting the metadata
- defines controlled vocabularies for important metadata (e.g. analysis technique, sample matrix)
- defines an ontology for both metadata items and groups of metadata items
NOTE: this project is about defining a platform. It is not, per se, about defining standards (i.e. defining what metadata must be used). However, standards are the application of the ChAMP platform in a particular area, and so we will also link to them once they are developed.
Recent Updates (5/1/15)
2015 was a very productive time all the way through the end of the RSC funded phase of the project (5/1/15). Stuart will continue to work on the project over the summer and is actively looking for additional funding. Collaboration opportunities and being explored with IUPAC and the RDA. If you are interested in supporting the development of ChAMP contact Stuart ASAP to keep the momentum going.
- Chemical Analysis Ontology (CAO)
- ChAMP XML Schema
- ChAMP JSON-LD Context
- XML Examples of ChAMP - Journal Article, Standard Method, Reference Material
- JSON-LD Examples of ChAMP - Journal Article, Standard Method, Reference Material
1996 - Jay K. Trautman
• 2003 - Stephan J. Stranick
Best Practices for using ChAMP to Build Standards
ChAMP is designed to be flexible - the parts can used and reused in many different ways by developers. That is a good thing because it allows development to be defined by the application area. However, developers may have a had time knowing where to start, so what follows is a set of best practices (and guidelines) for implementation of ChAMP or any similar project.
- Look at how ChAMP is organized. Think about your project in a similar way.
- Define the scope of your application. Articulate specifically what areas it will not cover.
- After defining metadata needed for your application evaluate which items can be represented by ontologies that already exist (not just CAO)
- Wherever possible, make the name singular. This may seem strange relative to common usage but makes better sense when multiple terms get separated in, for instance, RDF
- Do not include numeric digits or special characters in metadata names
- Use camel case (e.g. camelCase) for metadata names that would logically have spaces
- For each metadata item
- define its data type (use of the XML data types is recommended)
- decide whether it should be represented by a controlled vocabulary, enum list, or set of terms
- determine if the metadata item should occur multiple times or only once for the thing it is describing
- For those metadata that should be controlled vocabulary based, use published vocabularies from national organizations in the domain OR if none exists consider working with a discipline group to create and publish an open vocabulary
- In cases where a large amount of metadata is needed, consider separating the items into categories to help manage them and think at a higher level about the types of metadata that are important to project. This makes it easier to see gaps in metadata coverage.
- Look at the examples on this website. They show concrete implementations of ChAMP in both XML and JSON-LD
- chemical: a synthesized or purchased amount of a chemical substance that is an important part of the analysis (string) [04-29-15]
- solution: a prescribed solution that is part of the processing or reaction with the analyte in an analysis (string) [04-29-15]
- glassware: containers, utensils, and apparati that are made of glass and are important in the chemical analysis process (string) [04-29-15]
- component: a general category for other pieces/parts that are used specifically in a procedure, e.g. analytical column (string) [04-29-15]
Page 1 of 9