Re: [AMMRL] IconNMR and Python scripts

From: Sameer Al-Abdul-Wahid via groups.io <s.wahid=uoguelph.ca_at_groups.io>
Date: Fri, 1 Aug 2025 15:36:33 +0000

Hi Petra,

I ended up using an AU script with two lines, in TopSpin 3.6.5:

XPY(“pythonscript.py”)
QUIT

In our application, we call this AU program during the LOCK portion of the
IconNMR (to add in a VT waiting period and to run ATMA in a way that works
better for us).

Best,
Sameer


--
Sameer Al-Abdul-Wahid, Ph.D.

Manager, Nuclear Magnetic Resonance Centre<http://nmr.uoguelph.ca/q>

University of Guelph
519-824-4120 x58914 / s.wahid_at_uoguelph.ca



> From: main_at_ammrl.groups.io on behalf of Petra ROVO via groups.io
> Date: Friday, August 1, 2025 at 11:26
> To: main_at_ammrl.groups.io <main_at_ammrl.groups.io>
> Subject: Re: [AMMRL] IconNMR and Python scripts


Dear Clemens,

I’m trying to run a python script from iconNMR too (using Topspin 4.5), but
I could not find the right place where I should add the „xpya” command.
I’ve tried to add it as a line in the au_zg script, or as a command in a
’Virtual Parameter Sets’, but none of them worked. What do I miss?

Thanks for your feedback in advance.

Petra

> From: main_at_ammrl.groups.io On Behalf Of Anklin, Clemens via groups.io
> Sent: Thursday, October 3, 2024 1:35 AM
> To: main_at_ammrl.groups.io
> Subject: Re: [AMMRL] IconNMR and Python scripts


Dear Sebastian,

tghe commands "xpya" and "xpyp" will execute the jython program defined in
PYNM and PYNMP respectively

Clemens

Dear Sameer,

I had the same question, and someone told me, that Python/Jython scripts were
not considered for use in IconNMR. My workaround was to call an AU program and
run the Python script with XPY. I was also wondering about “PYNM” and “PYNMP”,
but they couldn’t be used within the automation.

Best regards,
Sebastian

--

=========================
==========================
=====================
Clemens Anklin Ph.D. Vice President
Bruker BioSpin NMR Applications & Training
15 Fortune Drive NEW Phone: 978-313-5NMR(5667)
Billerica MA 01821 twitter: _at_canklin
web: http://www.bruker.com
e-mail: clemens.anklin_at_bruker.com
===============
==========================
==========================
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Received on Fri Aug 01 2025 - 09:08:00 MST

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