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Yulian · 11-21-2019, 01:16 PM

Dear all,

Please can you suggest how to perform relaxation rate (to follow peak intensity change) and NOE analyses in CCPN v3?
I am looking for something similar to (v2):
www.ccpn.ac.uk/v2-software/software/tutorials/analysis-beginners/beginners-analysis-2
(Relaxation Rate Analysis part)
and
www2.ccpn.ac.uk/documentation/analysis/popups/CalcHeteroNoePopup.html

***VickyH*** · 11-21-2019, 05:44 PM

Hi Yulian,

you should be able to do this using the chemical shift mapping module. Have a look at the Chemical Shift Perturbation Tutorial (under Help / Tutorials). Obviously your peaks shouldn't move, so it should be easy to copy the peaks from one spectrum to another and then do SE (snap to extremum) on all peak simultaneously. Then in the settings box of the chemical shift mapping module select Calculation Mode "heights" rather than "position" and Fitting Mode "Exponential".

Vicky

Yulian · 12-09-2019, 02:18 PM

Hi Vicky,

Thank you for the reply.
Please can you also suggest how can I extract the fitted T1, T2 (R1, R2) values?
Also, is there a way to get NOE values or it is not implemented yet?

***VickyH*** · 02-13-2020, 11:49 AM

Hi Yulian,

just realised that nobody ever got back to you about this.
You can export any table by right-clicking on it and then exporting to an Excel or comma/tab separated or .json file.

NOE values are not implemented yet, but again, you might be able to use the Chemical shift Mapping module as a bit of a hack and then export to Excel for the time being.

We now have a list of popular V2 features and if/how they are implemented in V3:
https://www.ccpn.ac.uk/forums/misc.php?a...elp&hid=64

Best wishes,

Vicky