EasySpin forum

Hello,

I am trying to simulate 3 pulse ESEEM spectrum at X-band. Is there any limitation on number of nuclei? If i simulate proton and boron separately, it works but on incorporating both nuclei proton peaks disappear. Any ideas, why? See below for part of the code:

clear all;

Sys1 = struct('S',1/2,'g',[2.0036]);
Sys1.Nucs = '11B,10B,1H';
Sys1.A = [10, 9.5, 9.1; 10/3, 9.5/3, 9.1/3; 0.5, 0.2, 0.2];
Sys1.lwOffset = 50;
Sys1.lwEndor = 1;

Par1 = struct('mwFreq',9.81,'nPoints',256);
Par1.Field = 351.9;
Par1.dt = 0.024;
Par1.tau = 0.3;
Par1.T = 0.4;
Par1.ExciteWidth = 1000/20;
Par1.Range = [0 25];
Par1.Sequence = '3pESEEM';

Opt.nKnots = 181;

[B1_sim,spec1_sim,p1]=saffron(Sys1,Par1,Opt);
spec1_sim=spec1_sim/max(spec1_sim);

freq = p1.f;
Signal = abs(p1.fd)/max(abs(p1.fd));

plot(freq,Signal)

The proton modulation are probably much weaker than the boron modulations, and in addition you might be seeing cross suppression - that's a knwon effect where strongly modulating nuclei additionally suppress the modulation depth of weakly modulating nuclei.