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
Von: main_at_ammrl.groups.io <main_at_ammrl.groups.io> Im Auftrag von Sameer Al-Abdul-Wahid
Gesendet: Mittwoch, 2. Oktober 2024 15:09
An: main_at_ammrl.groups.io
Betreff: [AMMRL] IconNMR and Python scripts
Hi all,
For those with Bruker instruments, has anyone successfully run Python scripts
in IconNMR?
I'm trying to run a Python script to handle the "lock" portion of each sample.
The closest I've come is creating a macro that calls the Python script, which
I then run in IconNMR using XMAC. However, this executes the command as if
it were typed directly into the command line, causing the Python script to
operate on the current dataset displayed in TopSpin rather than the active
dataset in automation. This isn't ideal for our workflow.
I noticed that each dataset has "PYNM" and "PYNMP" parameters. I could move my
Python code into the PYNM script, but I don't know how to call that in IconNMR
either.
Any help would be appreciated!
Thanks,
Sameer
P.S. For context, we often run automation with a wide range of salinities.
Once every few hundred samples, ATMA will spend 10+ minutes hunting for a
dip and then 'give up' with the probe untuned. We developed a Python script
that times the ATMA process and emails us if it takes longer than 3 minutes.
--
Sameer Al-Abdul-Wahid, Ph.D. | Manager
Nuclear Magnetic Resonance Centre | University of Guelph
519-824-4120 ext. 58914 | s.wahid_at_uoguelph.ca
http://nmr.uoguelph.ca/
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Received on Wed Oct 02 2024 - 07:12:49 MST