Re: [AMMRL] topshim sluggish for some solvents #Bruker #NMR_Aquisition_Software

From: Fulton, Luke <fko24003_at_uconn.edu>
Date: Mon, 23 Sep 2024 17:13:07 +0000

Hi all,

Thanks everyone for all of the feedback! I've summarizing suggestions below,
apologies if I missed anyone. Thankfully general consensus leans towards
software settings rather than hardware failure. I'll start implementing your
suggestions fast as I can while avoiding mutiny from the userbase; the chem
department considers this instrument their main work horse right now.

Possibilities to look into:
-2H tuning and pw calibration
-lock not following drift correctly
-topshim settings, scans + shim orders
-apply topshim arguments convcomp + tuneaz
-reset topshim with 'topshim calreset' + 'topshim initial'
-upgrade to topspin from 3.6.5 to 3.7

Kind regards,
Luke


Luke Fulton, PhD
CHEM BLDG R003
NMR Core Facility Director
Unit 3060
COR2E & Department of Chemistry
55 N Eagleville Road
University of Connecticut
Storrs, CT 06279

email: fko24003_at_uconn.edu
(alias): luke.fulton_at_uconn.edu
mobile: (603) 953-5275
Office: (860) 486-4069
________________________________
> From: main_at_ammrl.groups.io on behalf of Kenneth Sharp-Knott via groups.io
> Sent: Friday, September 20, 2024 7:15 PM
> To: main_at_ammrl.groups.io <main_at_ammrl.groups.io>
> Subject: Re: [AMMRL] topshim sluggish for some solvents #Bruker #NMR_Aquisition_Software


Hi Luke,

What your describing seems a lot like what I observed after moving to TS3.6.5
which included an early version of Topshim 2.0. Did this issue begin after an
upgrade of Topspin?

I would advise upgrading to TS3.7 which has a better more stable version of
Topshim (2.4 I think). I won't bore you with the details, but Topspin 3.7
and running Topshim with the tuneaz and potentially convcomp keywords may
fix this issue.

Ken Sharp-Knott
Manager of Analytical Services and the NMR Facility
Department of Chemistry
Virginia Tech

(540)267-6502 (Cell)
(540)231-0885 (Office)
________________________________
> From: main_at_ammrl.groups.io on behalf of Fulton, Luke via groups.io
> Sent: Friday, September 20, 2024 1:08 PM
> To: main_at_ammrl.groups.io <main_at_ammrl.groups.io>
> Subject: [AMMRL] topshim sluggish for some solvents #Bruker #NMR_Aquisition_Software

Hi all,
An instrument has me stumped with an odd symptom.

Automated shimming with topshim is taking an abnormally long time to complete.
It always finishes without any errors, and spectra look fine, but the extended
duration may cause us to alter our reservation rules if we can’t find a fix.
It’s affecting all research groups, and the only observed pattern so far
is an apparent solvent dependence. For example, D2O is fast ~30s and CDCl3 is
slow, frequently over 10 minutes. So far we’ve lowered the 2H pulse power in
the prosol table and didn’t notice any difference. Checked gradients (attached),
and while surprising the differences don’t match trends with our solvent tests.
Haven’t noticed anything off putting in lock phase or field. The shim file
is updated weekly after nitrogen fills with lineshape and sensitivity samples, during
which I haven’t noticed any anomalies while using topshim gui. The trouble
came after recent hardware changes, so I’m hoping it’s due to a
setting/calibration but am not sure where to look.

For context: We had 300 and 400 MHz magnets with AVANCE microbay and AVANCE
III nanobay respectively. A new 400 MHz magnet and console will be installed
next month. We converted the AVANCE III nanobay from 400 MHz to 300 MHz. The
AVANCE microbay retired a few months ahead of schedule when its PSU failed.
The AVANCE III nanobay now has the old preamps from the AVANCE microbay, and a
new lock transceiver board. We brought the shim stack along with the console when
moving to the lower field magnet. We have a BCU 05 setup but the room temp bbo
probe doesn’t have working temp control, probably for some years. So
it’s mostly old equipment stitched together into a new combination. TopSpin 3.6.5

Does this dilemma sound familiar to anyone?

Kind regards,
Luke


Luke Fulton, PhD
CHEM BLDG R003
NMR Core Facility Director
Unit 3060
COR2E & Department of Chemistry
55 N Eagleville Road
University of Connecticut
Storrs, CT 06279

email: fko24003_at_uconn.edu
(alias): luke.fulton_at_uconn.edu
mobile: (603) 953-5275


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Received on Mon Sep 23 2024 - 10:13:22 MST

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