Transition export for small molecule CE optimization not working stolltho  2020-07-14 17:42
 

Hi sky team.

I followed the CE opt tutorial, but the transition export does not seem to work for me. It's only exporting transitions for one (the lowest) CE.
Could you please check?

Cheers,
Thomas

PS.: It would be nice if you could also adjust MRM and sMRM transition export templates for Agilent QQQ, this would save time re-formatting each export
(Agilent QQQ export template attached)

 
 
Brian Pratt responded:  2020-07-15 15:04

It appears that you have set an explicit CE (value -20), which overrides any calculated CE values. Clear that and it should work as expected.

I'll have to consult with some others here on the template issue.

Thanks for posting to the Skyline support board.

Brian Pratt

 
stolltho responded:  2020-07-15 17:09

Thanks Brian for clarification.