Lua Shixiong wrote:
> Hi ccpnmr,
>
> I need to analyze the chemical shifts differences for a series of HSQC with
> increasing ligand concentration.
>
> i have followed the instruction on following chemical shifts in the ccpnmr
> tutorials. But an message showed that a fit failed for X number of groups at
> reference position X. And indeed, i was not able to get a fitting for all
> the reference peaks i had.
>
> Could someone please guide me on how to execute the analysis?
>
> Many thanks in advance
Hi,
please check that you
a) grouped the peaks first
b) have the fitting function set to something sensible (A+Bx usually
does well)
c) picked peaks in all spectra
d) have set individual shift lists for all spectra
This is basically the list of errors that I encountered
when Follow Shift Changes did not work for me.
Alternatively you may want to change the shift change tolerance if you
are experiencing large peak shifts.
Cheers.
jcw
--
Dr Jan-Christoph Westermann | Phone:+61 (0)7 334 62021
Research Officer | Group David Craik
Institute for Molecular Bioscience
University of Queensland,
Brisbane 4072, Australia
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