On the issue of spectrum file formats:
I recently noticed that new formats appeared on the format pulldown in open
spectra. But when we tried Bruker it didn't work and we went back converting
to ucsf. All we did was select the processed file (i.e. 2rr or 3rrr) and
that was it.
Has anyone tried this option already?
Another point: I recently had the same problem with titrations as mentioned
in a recent posting: first I had problems to assign peaks because they had
shifted too far, so that I had to make new peaklists for each of them. I
then only found rather bizarre functions to fit the lists.
In my personal experience I have never seen chemical shifts change
exponentially or linear. I completely concur with the rescent request for
some kind of proper binding curve. Now, many people might require many
different binding curves and in addition to updating the documentation the
CCPNMR crew would be busy adding new equations for ever more involved
titrations. Would there be an option for users to add their own equation?
|