Re: [AMMRL] NMR scripting idea - seeking feasibility opinions...

From: Spin-Doc <bert.heise_at_spin-doc.net>
Date: Wed, 26 Nov 2025 00:31:14 +0100

Hi,

to complete the data set a bit (otherwise fully agreeing with Geoff here,
especially in academic/student setup…), Varian (Open)VnmrJ has a
cor rsponding feature "Veripulse" which can schedule 3D gradshim, lineshape,
S/N etc., providing a PDF report if specs were met. If you can reserve a few
positions of your autosampler for it ;-)

Cheers
Bert


> Am 25.11.2025 um 17:50 schrieb Anklin, Clemens via groups.io <clemens.ank=
lin=bruker.com_at_groups.io>:
>
> HI Ken et.al
>
> I know that advertising products is not what this forum is for, but this
> is what our autocalibrate is for. On a schedule but not interfering with u
> on-going measurements it puts a 2mM sucrose sample in the magnet and runs a
< few tests.
> One of them is shimming and determining the resolution and line shape, but
> also pulse calibration and more. It alerts the user when things stray to
> far.
>
> So it is up to every one to come up with a equivalent free solution.
>
> The use of one sample eliminates the influence of sample preparation and
> more from the process .
>
> This can also be called OQ/PQ or daily check and so on.
>
> With best regards
>
> Clemens
>
> On 11/25/2025 11:00 AM, 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

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Received on Tue Nov 25 2025 - 15:38:29 MST

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