Hi,
I have some new experiments for backbone assignments that I’d like to test/use with the sequence graph etc., but they are not listed in the reference experiments to select from. Is there a way to add my own experiments to this list? I saw from the Python console that this is a property of the spectrum, but couldn’t find where they are generally defined.
Thanks!
Alex
Hi Alex,
in terms of the experimentTypes we are currently still very dependent on the Version 2 experiment definitions. So when adding new experimentTypes, we will typically set these up in Version 2 and then use the .xml generate there. There is a very long list of all the existing V2 experimentTypes, but we don’t currently show all of them in Version 3.
It is also worth noting that the way in which we currently use the experimentTypes in Version 3 (in particular in the SequenceGraph) is mainly dependent on what types of atoms are connected by what kind of magnetisation transfer (through-bond, through-space etc.).
This means you can often use existing experimentTypes, even if you have developed a new experiment. For example, a solid-state hCONH uses a different pulse sequence and set of coherence transfers than a solution-state HNCO spectrum. However, the resulting spectra are essentially the same - they connect the H(i), N(i) and C(i-1) atoms in a through-bond manner. So in this case anyone using an hCONH can just select the HNCO experimentType.
So what we need to work out with your experiments is whether one of the existing experimentTypes in V3 describes the same type of spectrum or not. If that isn’t the case, is there already a V2 description of your experimentType which we simply need to make available in V3? Or do we need to create a new experimentType in V2 (which I can do)?
I’ve just added a list of the V2 Experiment Types to our website at bottom of this page: Version 2 - CCPN - Collaborative Computing Project for NMR
If you would like to discuss this with us in more detail, do get in touch with us at support@ccpn.ac.uk if you like.
Vicky