Hello,
When I setup structure calculation with xplor nih the peak list is empty. Kindly advise me on how to fix this. The version I am using is 3.1.1 and my NOESY peak list seems alright.
Regards,
Surabh KT
Hello,
Hi,
@ElizaP can perhaps give more detailed information, but I suspect the issue is that you haven’t selected the Experiment Types for your NOESY spectra. I think this pop-up will only display peak lists belonging to experiment types which include a NOESY (or through-space) transfer type.
You can set Experiment Types in the Dimensions tab of the Spectrum Properties pop-up (double-click on the spectrum in the side-bar), or else you can set them for lots of spectra in one go with shortcut ET.
Vicky
Hi Vicky,
The experiment type was set to NOESY when this issue occurred. However, I had the 3.1.0 version on a different desktop where I didn’t have this error. So I was able to proceed with my work. The issue might be specific to the 3.1.1 version.
Regards,
Surabh KT
@VickyH Hi Vicky,
I seem to be having the same problem as Surabh using version 3.2.0 of analysisstructure. When setting up the structure calculation the peak list is empty, though I have specified the experiment types in the experiment settings (I think?). Please see attached screenshots; I should have two noesy experiments to use.
Thanks for the helpful screenshots. I think the problem is that you haven’t specified the Reference Experiment Dimensions (just below the Reference Experiment Type). So in the drop-down menus for the two H dimensions you should have the option to select either H or Hn/Hc. Make sure you select Hn/Hc for the dimension which has the proton which is directly bonded to the nitrogen/carbon. And then select H for the dimension which is the NOESY dimension. Without knowing this information, the structure calculation program won’t be able to assign your NOESY spectra correctly and so it’s not listed in the Setup pop-up.
Vicky
Oh got it, that fixed the problem, thank you!