Hi,
Is there a way to change the threshhold for calculating peak volumes? I can pick a peak, select it and estimate volume (E,V) but volumes are only calcuated for the more intense peaks (in a 1H-1H NOESY spectrum). Is there a way to lower the threshhold so that volumes are estimated for lower intensity peaks as well?
Thanks,
Anne
Hi Anne,
I`m struggling to replicate this. There shouldn`t really be a threshold. The `Volume Integral Limit` in the Settings simply defines how many standard deviations either side to take for calculating the gaussian volume integral (default is 2.0 and works fine for me). I find even when I go (very) deep into the noise and pick peaks with tiny heights (5.2!) I can still estimate their volumes. Could it be an issue with selecting the correct peak list in the pop-up? It doesn`t automatically select the ones connected to the selected peaks (we should probably change this), but it will tell you if you haven`t select any peak list at all. Perhaps you could send us your project and that one spectrum (ccpnmr3@gmail.com) and we can check what is going on?
Vicky
Hi Vicky,
Thanks for looking into this. I think I have realised what the problem was: It seems I need to select all peaks and then `refit peaks single` before `estimate volumes`. Now I get volumes for all selected and refitted peaks. Thanks for explaining about the Volume Integral Limit as well - I was wondering how this worked.
Cheers,
Anne