Hi Wim,
I don't think I have a resoultion in my sepctra for 0.001 ppm. I think
this should be fairly a general case. I think I have assignments as
2.019 and 2.020 probably beacuse of averaging over multiple spectra and
in reality they are the same peak. I think 0.01 would be a good general
cutoff.
Would be nice to see what others think too.
Karthik
Wim Vranken wrote:
> Hi all,
>
> To follow up on this, the chemical shifts had to be exactly the same
> (to the n-th decimal) for the ambiguity code to be 1. I've now changed
> this so that it has an accuracy of 3rd decimal place, which means that
> this:
>
>> 42 5 Leu HB2 H 1.525 0.004 2
>> 43 5 Leu HB3 H 1.525 0.004 2
>
> will become:
>
>> 42 5 Leu HB2 H 1.525 0.004 1
>> 43 5 Leu HB3 H 1.525 0.004 1
>
> but this:
>
>> 3033 246 Glu HB2 H 2.019 0.000 2
>> 3034 246 Glu HB3 H 2.020 0.003 2
>
> will stay the way it is.
>
> Hope that works for most,
>
> Wim
>
> PS This is not yet on the update server, but will be soon!
--
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Dr. Karthik Rajasekar Ph: 01223766015
Research Associate M : 07807212010
Department of Biochemistry Fax: 01223766002
University of Cambridge
Cambridge CB2 1GA
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