I use Sparky frequently but it doesn't support 1D data. I might have to use a ruler :o
Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: > On Wed, Oct 15, 2008 at 7:30 PM, Tyler Reddy <[EMAIL PROTECTED]> wrote: >> Okay, so I'll basically just need to get the rms noise (NOT S/N) for my T1 >> and >> T2 spectra at various fields. I've been using S/N values for the NOE >> calculations so that explains why those errors seemed so large. I'd like to >> find a reference for the rms equation which seems to be: > > Those would be quite big errors :) > > >> [sqrt(2)]*(baseline noise height)/4 > > I think: > > sigma_h = rmsd(noise), > > is sufficient, where sigma_h is the peak height uncertainty and > rmsd(noise) is the RMSD of the base plane noise. Tom Goddard added > the RMSD calculation to Sparky (http://www.cgl.ucsf.edu/home/sparky/) > - but I've still to thank him for adding that so quickly after I asked > by giving him a citation. I don't know if other programs can > calculate this RMSD value. > > >> Ignoring the stuff with duplicate spectra, it's actually a rather nice >> situation >> with only peak height and baseline noise height being the information >> required >> for the calculation of NOE, R1, R2, and the propagation of their respective >> errors. Presumably this would then be enough to begin the model-free >> analysis >> in relax? > > This would save NMR time and it would be sufficient for a model-free > analysis if done carefully. Remember that the RMSD value in the > random coil region is higher than the empty parts of the spectrum, so > don't forget to get some estimates by measuring in there. > > Regards, > > Edward > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
