Hi Piotr,
Frequently if shim file loading is enabled in ICONNMR you'll see these behaviors.
Have a look in the Solvent/Probe dependencies section of the ICON configuration and
see if shim file loading is enabled. If shim file loading is enabled and the
shim file is not kept updated then it will read in an outdated set of shims and
topshim won't do a good job. Where if you're just shimming manually in topshim
you don't have to worry about old shim files--you just start from whatever decent
shims you already have and topshim does the rest.
To fix this, you can either just read in a known good shim file and then use the
rsh command to overwrite the file that icon is reading in, or you can change the
name of the shimfile that's loaded to match a good shim file (note, if you make
the change in the icon configuration you should save and then restart icon to
apply the change). Or you could run a quick 3d shim just to make sure
things look good and then save that shim file and use it as the shimfile that
ICON loads. If you want to run a 3d shim, load in your water suppression
standard and lock on H2O+D2O. Read in a proton parameter set and tune the
probe. Then topshim using the command "topshim 3d convcomp lshump ordmax=8,8"
(note, there are people who may take exception to one or more of the arguments in
that topshim command but it generally gives me good results and doesn't slow it
down any...) When the 3d topshim finishes then save the shim file with the
wsh command and then change the ICON configuration to point at that shim file.
Anyway, that's my first guess. Another option depending on how many weird
samples you get would be to disable shim file loading--then it just starts from
the current shims instead of reading in a reference shim file. If your users
have lots of weird samples that have weird shims then shim file loading is a good
idea. If they're all pretty similar then you can get away without using it.
That's what I've got. Hope it's at least a little bit useful.
Cheers,Mike
On Thursday, July 17, 2025 at 07:15:50 AM MDT, Piotr Dobrowolski via groups.io wrote:
Hello Bruker Users,
I am still learning how to operate our new AvanceNeo spectrometer. I know how
to manually setup and run proton acquisition. However, if I try to submit
such experiment in ICONNMR, Topshim fails to shim the sample: no errors, but
it takes long time, and proton signals lineshape indicates that shim adjustment
is really bad. Topshim apparently works fine when started from the standard
Topspin interface, and takes only couple of minutes.
I don't know what is happening - automation makes it really confusing. Are there
any settings I need to modify in ICON user configuration?
Thankyou,
Piotr
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Received on Mon Jul 21 2025 - 15:49:00 MST