Open borondics opened 2 years ago
And of course, the user would fine-tune it and add the missing ones with the existing tool.
There already was a flexible (but in the end a bit too complex) option that @noahcabanas implemented. How does that function compare with his suggestion?
And more importantly, what does it do for multiple spectra? Or should we limit the user to select a spectrum and then use it?
Yeah, I think we shouldn't make it flexible. The purpose would be to put a bunch of vertical lines onto the spectrum in not random or equidistant positions. If it is a bit better than those, meaning that the lines are indeed close to peaks, we are winning.
For multiple spectra I would use the average. Again, this function would be to help the user in some way but not to have it perfect.
The new peak labeling functionality is great and I was thinking we could add an auto option to find some peaks with no user suffering.
A simple script
produces a pretty good result:
Not bad for a zero effort thing, right? Of course we would need to test it on billions of different spectra, but we shouldn't aim to be perfect I think.
@markotoplak, @stuart-cls, what do you think?