AUtomatic J analysis (AUJ)

The source code of Auj-0.2.3 is available under a BSD-like license. See the README file for installation details.

To use Auj, you first load a 1H NMR spectrum in Gifa, the one of strychnine, for example:

Then, you type the "aujm" command. A new window appears:

You zoom on a multiplet:

And you click on the OK button to run the analysis program:

What you see here is the original multiplet in white and the reconstructed multiplet in green. The green color is also used for the display of the coupling constant values. You can see here that this doublet of triplet is indeed a doublet of doublet of doublet. Any other J analysis methods that is based on a preliminary peak picking would have proposed a doublet of triplet.

This noisy heptuplet (a 13C satellite of the central proton in isopropanol) is correctly analyzed.

Once the analysis is performed, the used may either want to jump to another multiplet or to quit.

The computer code of AUJ is still rather dirty albeit fully functional.

Jean-Marc Nuzillard
jm.nuzillard@univ-reims.fr

October 30th 2007