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Re: [aria-discuss] ARIA error - cross peak assignment


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  • From: "Raoul Vaz" <rvaz AT uoguelph.ca>
  • To: aria-discuss AT services.cnrs.fr,bardiaux AT pasteur.fr
  • Subject: Re: [aria-discuss] ARIA error - cross peak assignment
  • Date: Wed, 14 Sep 2022 23:24:08 +0200

Just an update, I have managed to get the automated peak assignment working
for the sample data provided with the spin diffusion example. However, for my
solid state data (only carbon-carbon correlations) I am still encountering the
"over 90% of cross peaks could not be assigned" error.

I'm not sure how to handle a lack of a proton dimension as my first thought
was to simply specify that columns 1 and 2 in my cross peak file were
heteroatoms in the conversion file. However, this results in an error
specifying that the proton1 field in the conversion file must have an entry
between 1 and 4, which I presume means at least 1 proton dimension is
required.

Thank you,

Raoul Vaz
Protein NMR Research Group
University of Guelph
Guelph, ON Canada



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