Open Access News

News from the open access movement

Tuesday, April 28, 2009

Open chemistry data from NIST

Peter Murray-Rust, Open Chemistry Data at NIST, A Scientist and the Web, April 24, 2009.

I had a wonderful mail this morning from Steve Heller Ö

I am helping the [National Institute of Standards and Technology] folks get additional GC/MS EI (electron impact only) mass spectral for their WebBook and mass spec database.

The question I have for you is would you be willing to post something on your blog suggesting it would be useful for people to donate their EI MS to the NIST folks. The WebBook is Open Data which is where the spectra would go first/initially. In addition, the spectra would also go into the NIST mass spec database to add to the existing database they provide.

NIST is in the process of setting up an arrangement with the Open Access Chemistry Central folks to do this and I wanted to see if you also would be willing to cooperate/collaborate as well. ...

Many of us have known the NIST webbook for many years. It was the first, and for some time the only, openly accessible chemistry resource on the web (outside bio-stuff like PDB). ...

The webbook has many thousands of entries for compounds. Even if you arenít a chemist, have a look as itís an ideal exemplar of how data should be organised. ...