Hi
We do a water suppressed sucrose std every Monday and do a suppcal to monitor
resolution and Sino
My personal is it a n=nice spectrum is can I see the silicon sidebands on
DSS etc before broadening with a 32K acquisition
WFM!
regards
Gary
Dr Gary S Thompson NMR Facility Manager
CCPN CoI & Working Group Member
Wellcome Trust Biomolecular NMR Facility
School of Natural Sciences
University of Kent, Canterbury, Kent, England, CT2 7NZ
☎:01227 82 7117
✉️: g.s.thompson_at_kent.ac.uk
orchid: orcid.org/0000-0001-9399-7636
On 25 Nov 2025, at 16:00, Fulton, Luke via groups.io wrote:
Hi Ken,
General operating procedures in most academic labs would conflict with this.
In line with Geoff's comments, 99 out of 100 times shimming complaints arise
from sample conditions rather than degrading shim settings. Cutting through
the noise with that as your daily experience sounds daunting.
However! You could do exactly that if you're willing to adopt a standard
industry lab practice at your facility.
Anyone working under cGMP/GLP has to satisfy SOPs mandating recurring checks
on instrument condition. The simplest way to do that is to run a simple PROTON
and confirm it passes whatever decided specifications the lab demands, which
clever scripting technically can automate. Assuming the magnet also has a
sample changer and automation software running, you schedule a (preferably
daily) recurring measurement. Early morning say between 3am-5am is preferable
to minimize vibrational activity throughout the building. Then, just use
one of your flame-sealed standard tubes to solve the sample quality problem.
From there you're free to explore the shim monitoring idea with fewer
headaches. The main issue I see is that fixed experiment scheduling can
conflict with long measurements running overnight, so many labs might be
unwilling to try it out.
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<mailto:fko24003_at_uconn.edu>
(alias): luke.fulton_at_uconn.edu<mailto:luke.fulton_at_uconn.edu>
mobile: (603) 953-5275
Office: (860) 486-4069
________________________________
> From: main_at_ammrl.groups.io on behalf of Akien, Geoffrey via groups.io
> Sent: Tuesday, November 25, 2025 10:24 AM
> To: main_at_ammrl.groups.io
> Subject: Re: [AMMRL] NMR scripting idea - seeking feasibility opinions...
Hi Ken,
I can see the motivation for this, but I think Garbage In Garbage Out applies
for this one, in the sense that you can’t practically control fod
JHD couplings, and then have a way of handling the many false positive when
the lineshape is poor because users have floating solids, incomplete mixing,
scratched tubes etc. etc.
True, you might be able to detect gross changes from cracked inserts or something
like that, but usually you’ll hear from users about that one pretty fast
as it should be obvious even for non-experts.
Degradation of 3D shims is going to be more of a gradual process, and I’d
question whether you’d be able to reliably pull that out of the noise.
The most robust data is always going to be from a validated and reproducible
test sample e.g. sucrose, which is presumably why the Bruker AutoCalibrate
system relies on a particular version of this.
Thanks
Geoff
> From: main_at_ammrl.groups.io On Behalf Of Kenneth Sharp-Knott via groups.io
> Sent: 25 November 2025 15:06
> To: main_at_ammrl.groups.io
> Subject: [External] [AMMRL] NMR scripting idea - seeking feasibility opinions...
Hello everyone, I've brainstormed an idea and wondering if we have reached
the point were technology might make this a possibility.
The VT NMR facility uses LOGS as our data management solution which is
integrated with MNova via MHub. Now that MNova and LOGS both have a Python
suite, I wonder if a 'shim maintenance script' might be feasible.
Essentially, LOGS already knows the selected solvent and with MHub, MNova
could screen each sample, identify the solvent peak, and check the lineshape.
When it observes tailing, splitting, etc, it could send an email or possibly
put a flag in LOGS alerting the facility staff to check the probe for
contamination or a touch up on the 3d shims.
Curious if anyone has thoughts on this.
Thanks
Ken Sharp-Knott
Manager of Analytical Services and the NMR Facility
Department of Chemistry
Virginia Tech
(540)267-6502 (Cell)
(540)231-0885 (Office)
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