Department of Chemistry, University of Alberta         January 2006
NMR News 2006-01
News and tips from the NMR support group for users of the Varian NMR systems in the Department
Editor: Albin.Otter@ualberta.ca         http://nmr.chem.ualberta.ca

There are no fixed publishing dates for this newsletter; its appearance solely depends on whether there is a need to present information to the users of the spectrometers or not.


Other content of this NMR News is no longer meaningful and has been removed May 2010.

Contents 

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automatic data saving for overnight experiments: macro autosave

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FAQ 2006-01.1: remote access to NMR data processing: what is involved?

 

Automatic data saving macro for overnight experiments: macro autosave
Experiments such as APT, C13-1D or two-dimensional experiments like TROESY, GHMQC/GHSQC and GHMBC, often need to be run overnight to obtain a satisfactory signal-to-noise ratio. So far it was not possible to save the resulting data file other than entering a filename at the end of the experiment (typically the next morning). Thanks to an extensive programming effort by Mark Miskolzie a new macro, called autosave, has been implemented on all spectrometers. As the name suggests, autosave writes the data to disk automatically according to the user's input. Here is the sequence of events:

1) load a parameter set as you always did
2) start the experiment
3) ensure you are in the directory where you want to save the file
4) in EZ NMR S+A hit button 10.Auto Save or type autosave; in either case enter the desired filename when prompted
5) relax!

One benefit of autosave is obvious: it writes the file with the exact name in the current directory. Another benefit is that data are also stored with this name during the experiment's acquisition. As a result, the data will not be lost completely in case of a crash, power failure etc.

autosave only works in the current running experiment. It cannot be used to save queued experiments.

If a user tries to do this, the macro will write on the screen that this is not possible and abort with a warning beep. This is due to the way queued experiments are handled by the software and appears to be an insurmountable limitation.

FAQ 2006-01.1: remote access to NMR data processing: what is involved?
Remote NMR data processing is increasing in popularity throughout the Department. Currently nine research groups use this method to work with NMR data acquired on any of our spectrometers. This has already once been discussed in NMR News (2004-02). Instead of repeating most information here, the 2004-02 information has been updated and now contains a link to a PDF document for further information.


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