How to read Siemens .rda nmr spectroscopy files?

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Aleksandra Szcześniak

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Nov 28, 2019, 10:54:14 AM11/28/19
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Hi,
I am looking for the best tool to visualize and analyze some nmr spectroscopy data. I have data registered on Siemens in .rda format.
I have found nmrglue and I am impressed with its capabilities. I want to use it for my data. 
How I can read .rda files in nmrglue?
My specters are a bit complicated and different so I have to make some shifts and line broadenings to make the look similary to visualize them on one, common axis.

I will be very grateful for your help :)

Jonathan Helmus

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Dec 2, 2019, 5:44:23 PM12/2/19
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Unfortunately nmrglue does not have the ability to read data from Siemens .rda files.  As discusses in the GitHub issue [1] on this topic this ability could be added to nmrglue.  This is not something I will be working on but would be happy to review a pull request if anyone wanted to determine how to read these files. 

    From some brief searching I found the "suspect" Python library [2] which may be able to read in this type of data.  The library is open source [3] and so the code might be able to be adapted for use in nmrglue.


[1] https://github.com/jjhelmus/nmrglue/issues/110

[2] https://suspect.readthedocs.io/en/latest/notebooks/tut01_intro.html

[3] https://github.com/openmrslab/suspect


Cheers,

    - Jonathan Helmus

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Aleksandra Szcześniak

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Dec 5, 2019, 7:34:30 AM12/5/19
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Thank you very very much for your help and given information.
This library looks really promising.
I will try my best to manage it.

Cheers,
Aleksandra Szcześniak

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