Thursday, September 21, 2006

spectra in JCAMP

James has been trying to get our NMR data in a more manipulatable format so that we can zoom in and amplify peaks at will. He finally did get some data off our 500 Mz Varian instrument in JCAMP format. For example see this file for crude butyraldehyde.

We are still looking for a good viewer that will let us manipulate the spectra within the browser, including integration. Right now, after downloading, the butyraldehyde spectrum can be viewed with JDXview.

Any suggestions? (And no, I don't want to use Chime because MDL requires printing out a contract and mailing it in for approval)

1 Comments:

At 3:26 AM, Blogger Egon Willighagen said...

Did you look at the applet by Prof. Lancashire at:

http://wwwchem.uwimona.edu.jm:1104/software/jcampdx.html

 

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