Change processing directory

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Niels Karschin

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Feb 27, 2017, 5:02:57 AM2/27/17
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Hi all,

I am currently using mddnmr 2.5 with the qMDD interface and I wanted to manually choose the processing directory every time I reconstruct a spectrum so that I can have differently processed spectra from the same raw data. Is there a way to do this?
This seems like it should be easy to solve but I was not able to figure it out and I didn't find anything in the manual. Any help is appreciated.

Best,
Niels

Vladislav Orekhov

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Feb 27, 2017, 5:43:11 AM2/27/17
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Hi Niels,
we will check what can be done in qMDD GUI.
Alternatively, as soon as you processed the spectrum the first time with qMDD, you can make a copy of <your spetrum>.proc directory. In the new directory, you can start processing by running proc.sh script from the Unix command line. If you need to change processing parameters you use any text editor to modify proc.sh and nmrPipe processing scripts fidSP.com and recFT.com

Regards,
Vladislav
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