Hi Ken - the tools Bruker provides for LCNMR do indeed work for multiple
solvent suppression quite nicely. As Geoff states, you can forget about
defining region files. The program will run a scout proton, peak pick,
and then sort the peak list according to intensity. Subsequently, a
suppression will take place of the L30 tallest signals using your favorite
suppression technique (in my case WET). The difficulties I encountered
getting this going were many and mostly due to the fact that the LCNMR tools,
in my opinion, are over-engineered when being used for the sole purpose of
routine organic solvent suppression. So I spent quite a bit of time
modifying and condensing the critical LCNMR au programs (lctshim, lcsetsup,
lcprep, au_lc1d ) into code dedicated solely for organic solvent suppression
using WET. When i made this available to the user base using a generic
solvent "None", they would often forget to update L30 properly (again as Geoff
states) and so I ended up adding about a dozen named protio-solvents to our
iconnmr solvent list. Taking this approach allowed me to hardcode L30
based on solvent choice but in addition do an approximate shift correction
and set an optimized 13C decoupler position.
Id be happy to share some more details with you. I really need to sit
down and clean up the code and add comments. Also, Im not sure how
portable the code is. It is currently in use on a Neo with TS4.1.4 and
a TCI Prodigy.
Cheers,
Mike
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Received on Wed Jun 04 2025 - 09:38:33 MST