Saturday, March 03, 2007

Automated Reaction Kinetics using Excel VBA, JCAMP, and Java

I have developed a software package which allows us to take data from our Varian UNITY INOVA-300 NMR and plot the concentrations of various species in the course of a reaction. The NMR data (in JCAMP format) are decompressed and combined into a BLOCK file which the Excel VBA program reads and plots. Concentration versus time plots, which then can be used in kinetics studies, are automatically generated. For more information on this software and how to use it, click here, or to download the information as a Word document, here. The software itself (which contains the documentation in Word format) can be downloaded as a zip file from here. For a test suite of data, including output files generated by the software, click here.

2 Comments:

At 3:17 AM, Blogger avikfluorine said...

Can you give some program of similar kind that works on Bruker Avance II instruments using topspin 1.3 in windows platform.

 
At 10:05 AM, Blogger Jean-Claude Bradley said...

No you have to convert to JCAMP-DX format for this code to work

 

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