Dear Bruker Users,
For teaching purposes, I have been in the process of learning how to use NMR simulator. (We use Topspin 1.3.) I ran into two main issues I have not been able to resolve on my own. Any hints to point me in the right direction are most welcome.
1.) I am unable to successfully simulate a selective presaturation experiment. I did make sure that the simulation is set to full relaxation, the spin system has values for T1 and the offset is properly set. I suspect it has to do with setting the powerlevels. NMR simulator uses absolute values in Hz units and I just have no good handle in assessing what values are appropriate, even after reading the little bit of info available in the NMR simulator manual on page 108. I tried by trial and error a number of settings but to no avail.
2.) I was successful in simulating a T1 experiment. It would be nice to have students use the same relaxation analysis in Topsin 1.3 to confirm the known T1 value. However, the delay list information does not transfer over from NMR simulator to the obtained data set visible in Topspin, and the relaxation analysis module does not work. I re-created the delay list, but this still does not seem to get recognized by the relaxation analysis routine.
Thanks for any comments and have a Merry Christmas,
Markus
Markus Hoffmann
Department of Chemistry
SUNY Brockport
Phone: (585) 395-5587
FAX: (585) 395-5805
mhoffman@brockport.edu
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