I am a new user of CCPNV3.
I would like to map peak intensity for each amino acid residues from a HSQC titration experiment.
Is there any guidance on how to do this?
Also, under the Chemical Shift Mapping, the calculation mode options are based on position, height, weight, and linewidht, I am just wondering if this is the correct function to do this? If so, which calculation mode should I choose?
Any help would be much appreciated!
There should be a v3 tutorial available to demonstrate this. I have recently done the analysis 2.5 version of this tutorial, I imagine it should be available for v3 as well.
it sort of is possible as a bit of a hack, but we haven`t really optimised this yet. As yet, we haven`t properly implemented a relaxation data analysis module, as V2 has. But we are working on this.
What you can do in the mean time is:
In the Shift Mapping Module (CM) you can go to Settings and select
Calculation Mode - Height
Display Data - raw
Fitting Mode - Exponential
Then don`t forget to click `update all`
This should show you the table and graphs. The histogram becomes a bit superfluous, though.
When I tried this just now, I found there were problems when selecting `Display data - raw` if there were NmrAtoms which there wasn`t any data. Looks like a bug to me which we`ll look into.
the bug mentioned above is now sorted - simply download the latest updates. So you should now be able to look at an intensity series, though the graph legends/column headings etc. aren`t really set up for this and may not be correct. But the graph itself and fitting should be fine.