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Hello, I work a lot with compounds containing numerous carbohydrate groups. Therefore I use frequently 1D-TOCSY experiment with varying mixing times (parameter d9 = 30, 60 and 120 ms for selmlgp pulse program). It would be very useful to have a pseudo-2D experiment with these 1D-TOCSY spectra saved as one ser file. <edit> Thanks to the help of Clemens Anklin from Bruker I was able to prepare an experiment with 'selmlgp.2' pulse program (1D TOCSY with supression of zero quantum coherence) modified by Clemens. You can download it here: selmlgpvd.2 Preparation (comments from Clemens): Define a 'vdlist' file in *\exp\stan\nmr\lists\vd\ directory with the various mixing time entries. Set TD1 equal to the number of entries and SI1 to the next nearest power of 2. Use the same parameters for processing in F2 as you would use for the 1D's. Set FnMODE to QF. If you want to process each FID individually use the AU splitser to create 1D experiments. At the end of the acquisition use xf2 to transform all the spectra and then you can use the AU program split2D to generate individual 1D spectra. Regards Luke |
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You can record a series of 1D spectra with the (rather old) AU program named acqulist in the following way : set up the first experiment of the series, define a vdlist for your mixing times and type acqulist : the program starts with a dialogue which asks first for the definition of the first data set (default=current dataset), then for the name of the vdlist and the number of delays ; finally you will be asked if you want to check the acquisition parameters before starting the acquisition. The data set series is created (EXPNO incrementation) and you can either start the acquisition immediately or later on with multizg (or multicmd if you want to include rga for example). This program can be used as well for 2D experiments (series of NOESY/TOCSY) or for other kinds of parameters (pulse length, temperature, frequency). |
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You can also record automatically a series of 1D experiments using the (old) AU program called acqulist : Define a vdlist for your mixing times, set-up the first data set of the series and type acqulist : the program starts with a dialogue asking for the definition of the first data set (default=current data set), then for the name of the vdlist, the number of delays, and finally let you check the acquisition parameters before starting the acquisition of the series of experiment. A delayed acquisition is also possible, the series of data sets is created and the acquisition is started later on with multizg or multicmd. You can use this AU program for 1D/2D experiments and different kind of variable parameters (delay, temperature, pulse, frequency). |
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It can be a little complicated, you can change your's selmlgp sequence. In pulse prog change d9 to vd, in aqu parameters define vdlist for your mixing times (30, 60, 120), set TD1 at 3, set aqu PARMOD=2D, set VD list, add new loop in pulprog (according to TD1), FnMODE = undefined, NLOGCH = 1. In proc parameters ser PARMODE at 1D, type of spectrum at PSEUDO 2D. After aqusition just use normal FT. ToSpin will ask you which FID do you want to process. I don't have time today, but if you will be still interested in this program, I'll make it and test it after weekend. Best Regards Arek Thank you for your help Arek. I'm in contact with user Clemens Anklin now and wouldn't like to press you. I hope you don't mind if we wait a few days. Best regards Luke - zablociak (Jun 05 '14 at 05:41) No problem. If you would be so kind and share with me this pulse program, that you will obtain from Clemens, it would be nice. I just want to look how he will make it. Arek my mail ; aleniak@icho.edu.pl - Arkadiusz Leniak (Jun 05 '14 at 06:51) |
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You should be able to do this with a delay list and by moving the calculation inside the pulse program. I can provide you with a sequence if needed. Write to my work email please "cga@bruker.com" Clemens |
