AMMRL: Processing NUS data taken on older Bruker spectrometers - solved

From: Tom Pratum <tkp9551_at_gmail.com>
Date: Thu, 24 Dec 2020 11:04:30 -0800

I want to thank those who responded to this query and wanted to let anyone interested know the solution.

Most folks suggested using nmrPipe to process the data, which I know is possible, but wanted to avoid that if I could due to the extensive use made of Mestrenova here. One other suggestion was to get a license for TopSpin to process the data offline. Fortunately, Chris Rithner sent me an actual Bruker NUS data folder that will process in MNOVA. By trial and error, I was able to determine that the only thing needed to get MNOVA to recognize the data as NUS is the ’nuslist’ text file containing the sampling schedule - that is all; although the parameter files are needed to process the data, none of the NUS parameters appear to be used, so the older parameter files are fine as-is. I am able to get the older Topspin data to process now, although I still need to work out some pulse programming bugs.

Thanks so much to David Jones, Patrick Reardon, Chris Rithner and Daniel Rentsch for their help - what a great resource we have here.

Happy Holidays to All!


Tom Pratum
Southern Oregon University

> On Dec 17, 2020, at 11:29 AM, Tom Pratum <tkp9551_at_gmail.com> wrote:
>
> Hello Everyone and Happy Holidays-
>
> We have an older Avance spectrometer here that will not run versions of Topspin that support non-uniform sampling (NUS). However, using the ample information available on the subject, I have been able to acquire NUS data (using a vd list of t1 values generated using a sampling schedule). The instrument itself will not process the data. The most reasonable option for us is to use Mestrenova to process it as it does support NUS data.
>
> However, not surprisingly, Mestrenova does not recognize the data as NUS. While I really like Mestrenova, it doesn’t really allow one to ‘get under the hood’ and force NUS processing. I have contacted them, and they are working on it. In the mean time, it occurs to me that if I could reproduce the NUS parameters in the existing Bruker parameter files I could get the data recognized.
>
> Has anyone ever tried that (changing the parameters to force NUS recognition)? Or, can anyone send me a parameter file or two (acqus, acqu2s) that contains the NUS parameters?
>
> Thanks in advance, as always, for the help.
>
>
>
> Tom Pratum
> Southern Oregon University
>
Received on Thu Dec 24 2020 - 09:04:47 MST

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