Calculate dipolar EPR (DEER) signal.
K = dipkernel(t,r) K = dipkernel(t,r,gAB)
dipkernel
calculates the DEER signal for two coupled electron spins-1/2 spaced a distance r
r apart. t
is the pump pulse position time axis (in microseconds), and r
is the distance or array of distances (in nanometers).
If r
is a single value, then the output K
contains a single vector. If r
is a vector, K
is matrix, with K(i,j)
corresponding to K(t(i),r(j))
.
The optional input gAB
contains the g factors of the two electron spins, [gA gB
. If omitted, the free-electron g value 2.002319 (see gfree
) is used for both spins.
dipkernel
assumes a complete powder average, and absence of exchange couplings and orientation selection.
Calculate the DEER signal for two electron spins spaced 3.1 nm apart:
r = 3.1; % nm t = linspace(-0.1,3,301); % µs V = dipkernel(t,r); plot(t,V)
Calculate the DEER signal for two electron spins with a distribution of distances:
r = linspace(0,6,1001); % distance range P = gaussian(r,3.5,0.3); % distance distribution t = linspace(-0.1,4,301); % time range K = dipkernel(t,r); % dipolar kernel V = K*P(:); plot(t,V);