Hi
I am a new in using DEERNet program provided in DeerAnalysis 2019, I would like to know the meaning of the dimensionality parameter found by DEERNet as in some cases I got values below 2 or higher than 3.5.
Regards
DEERNet in DeerAnalysis program
Re: DEERNet in DeerAnalysis program
That is the effective dimension of the distribution of the observer spins, see here (Eq 9) for details:
https://doi.org/10.1039/C9CP06111H
I have limited insight into how DEERAnalysis uses our networks; the DEERNet that I can answer any question about is the one we have in Spinach:
https://spindynamics.org/group/?page_id=12
(see the installation instructions and then the example set)
https://doi.org/10.1039/C9CP06111H
I have limited insight into how DEERAnalysis uses our networks; the DEERNet that I can answer any question about is the one we have in Spinach:
https://spindynamics.org/group/?page_id=12
(see the installation instructions and then the example set)
Re: DEERNet in DeerAnalysis program
This is done as follows: From the distance distributions returned by DEERNet, I compute time-domain signals and then I fit the product of this time-domain signal with a stretched exponential decay to the primary data. The dimensionality parameter is calculated from the strech exponent. If you obtain values below 2 or above 3.5, this is an indication that there are problems with the data set, most probably that the trace is too short compared to the longest distances in your system.
Re: DEERNet in DeerAnalysis program
Many thanks for your kind reply. I will explore more DEERNet either form DeerAnalysis or Spinach.
Regards.
Regards.