Usually there is some precision with which you determine the chemical
shift values based on digital resolution of your spectrum and linewidth
of you peaks - basically a function of your spectrometer(s). In
addition, CCPN Analysis would provide a non-zero error if your
assignment is connected to more than one peak (right, Tim, Wayne?). The
larger of the two values for each nucleus is what BMRB would need.
In my experience, typical final values are in the range of 0.03-0.05ppm
for 1H and 0.3-0.5ppm for 13C and 15N.
> Date: Tue, 1 Mar 2011 13:09:54 -0800
> From: Catherine Foo<[log in to unmask]>
> Subject: chemical shift error / BMRB deposition
> I tried searching in the archives but could not find the answer
> successfully (because "error" is not a very useful search term! :).
> I have submitted chemical shifts to BMRB and some of my error values
> are 0.000, and BMRB wants me to provide the correct error information.
> I'm not sure what sort of error BMRB is looking for, and I'm hoping
> someone here with more experience could help me out.
> Am I correct in my assumption that analysis calculates error simply as
> the standard deviation of all the corresponding peaks?
> Is that the type of error that BMRB wants?
> If I only have one peak picked for that resonance in my project, then
> the SD is by definition zero?
> I am using analysis 2.0.7 and I exported the chemical shift list via
> Format Converter.