I am working on a MAS solid-state NMR Bruker spectrometer using Topspin. Is anyone familiar with a macro for running several sequential experiments each with a different temperature? Is there a macro for running these experiments which automatically set up the specific temperature for each experiment? I was trying to modify the multizg macro, but since I'm not a great expert on computre programming, it did not work. PLEASE HELP !!!
asked Mar 22 '12 at 04:55
Hi, you can easily write an AU program which does what you want. The AU Programming is also well described in the TOPSPIN documentation (au.pdf) and includes all the commands available for temperature control. Here a little examples (of course no warranty):
This program sets the temperature to 250K, waits 480s, copies the experiment into the next experimental number, records an experiment, repeats the last two steps 5 times, and then the temperature is increased by 1K. The whole thing happens 10 times. Of course if you only need one experiment you can skip the inner loop. You have to be careful that the probe tuning doesn't change too much with temperature. I've used this macro and I hope it will work for you as well.
Best wishes Johanna Becker-Baldus
answered Mar 26 '12 at 23:52
First you can use the command multi_zgvt. This is an au macro programm from Bruker.
This was the header of the macro!
The vt-list you find under AcquPars and Lists. With the ... Button you can choose a saved vt-list. With the E-Button you can edit your own vt-list and save it there.
Second possiblity, you can use IconNMR instead the multi_zgVT makro. Here you can treat numbers of samples of the automation sampler, maybe also of the HR-MAS sampler!?
In the Configuration you have the Temperature Handling. I click on Post Insertion Set/Check and there the "Temperature Setting after Sample Insertion" choose "according to each experiment's TE Parameter". Then you put the TE parameter into the "User Specific Parameters/Commands" in the "User Manager" and then you can change the Temperature easily for every Experiment.
With low temperature I had the problem, that I have to change the gas flow meanwhile I go down in temperature. ...
you can use ICON-NMR. Use the standard au program auTE and set up separate experiments for the experiments. e.g 1H300K, 1H328K, 1H353K. Set the required temperature in the individual experiments. Combine the individual experiments into a composite experiment. The au program changes the temperature to the set temperature before acquisition starts.
answered Apr 25 '12 at 08:32