[AMMRL] Removal of curly braces from IconNMR spreadsheet import?

From: Akien, Geoffrey via groups.io <g.akien=lancaster.ac.uk_at_groups.io>
Date: Fri, 21 Nov 2025 13:52:42 +0000

Hi folks,

We're encountering a nuisance issue to do with emailing users data from IconNMR,
and was hoping someone might have a better solution. My enquiries to Bruker
have not gone anywhere.

We're using a spreadsheet for undergraduate teaching use that gets the users
to input their names and email addresses so the right person gets the right
data without having to mess about with accessing our fileserver.

For whatever reason, a configuration change on our university SMTP server has
meant that any emails with attachments containing curly braces ("{" and "}")
or square brackets ("["] and "]") are being silently rejected, and our local
IT can't figure out what's going on to the point they've given up.

This collides with a behaviour change in IconNMR between TopSpin <=3.5pl7 and
>=3.6.0, where if you import from a spreadsheet using the e.g. [COL_A]
functionality, IconNMR will put curly braces around every field you generate
from the spreadsheet. Taking the trivial example of importing a spreadsheet
with "Sample_[COL_A]", and the cell being "42" you'd get:
<=3.5pl7: "Sample_42"
>=3.6.0: "Sample_{42}"

If you have "Mail PDF" or "Mail ZIP" flags on that user account, then the
attached files end up with the same name, and so have curly braces in their
names, and then the email doesn't go out.


The current "fix" for this is to hand edit the imported dataset names to remove
the curly braces, but obviously this is extremely tedious and if you have three
fields and a full 60-slot autosampler rack you end up having to manually remove
180 curly braces. Still better than hand-typing 60 email addresses without error,
but still very annoying for the demonstrators nonetheless.

I'm currently supporting instruments on 3.8.0 and 4.5.0, and I naively assumed
it would be easy to modify the offending code, but the TCL codebase is impenetrable
to me. It doesn't help that curly braces are a standard syntax element so tracking
down where these braces get brought in is not easy. I thought I'd located the key
bits in <TSHOME>\prog\tcl\libtix\iconnmr\inmrlib\Automation\lib\AutoSet_SpreadSheet.tcl,
but diff'ing 3.6.0 and 3.5pl7 appears to only show some refactoring of variable
names and nothing else.

Has anyone else had a go at wrestling with the IconNMR codebase? Should I
be looking for a different function for the key machinery? Any suggestions
welcome!

Thanks

Geoff



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Received on Fri Nov 21 2025 - 07:28:24 MST

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