Updates to relaxation modules

Analysis Version 3
1

Hi.

I have used the relaxation modules for a while and it works well. I was just wondering whether there were any plans to add a few tweaks in the near future. These are probably the most highly requested from our group.

  1. To fit R1p data. Most cases now are calculating 15N R2 rates from R1p now. Whether there is scope to fit this and perform the conversion
  2. Currently using all relaxation data the user can perform a spectral density mapping calculation. Whether it is instead possible to calculate the S2 order parameters.
  3. Finally although will probably require a new module. The integration of CEST and Relaxation Dispersion experiments.

Thanks

2

Hi.

Thank you for the feedback.

  1. Yes the R1p could come in a very short timescale in next updates.
  2. The full Lipari-Szabo (model-free style) analysis is in developement and currently being validated with known datasets, so we should be able to release in incoming months. (fully integrated within Ccpnmr)
  3. Cest, we had recently talks with Guillaume Bouvignies (Chemex) for integrations. But will have too wait until next year for proper development.

I hope it helps
Luca

3

Sounds exciting. Looking forward to updates

I think a good choice. As we all here use ChemEx