AppendTo[$Path,"/Users/sjo1e12/Documents/SDv3-6/SpinDynamica"];

Needs["SpinDynamica`"]

SetSpinSystem[3]

Hspins={1,2}

Cspins={3}

The Hamiltonian for a system of two I-spins 1/2 and one S-spin 1/2 under the “secular” approximation

H0=2π J12 opI[1].opI[2]+2π J13 opI[1,"z"].opI[3,"z"]+2π J23 opI[2,"z"].opI[3,"z"]

params={J12-> 15.9,J13-> 3.3,J23-> 5.9}

ρ0=SingletPolarizedDensityOperator[Hspins]

SetBasis[
ProductBasis[SingletTripletBasis[{1,2}],ZeemanBasis[{3}]]
]

BasisKets[]

BasisBras[]

ρstart[p_]:=Evaluate[p PopulationOperator[1]+(1-p)PopulationOperator[3]-UnityOperator[]/4//ExpressOperator//Simplify];

SingletPolarizedDensityOperator[{1,2},p]

S2M902[τ_,n1_,n2_,θ_]:={
RotationSuperoperator[{1,2},{θ,"x"}],
Repeat[{
{None,τ},
RotationSuperoperator[{1,2},{π,"y"}],
{None,τ}
},n2],
{None,τ},
RotationSuperoperator[{1,2},{π/2,"y"}],
Repeat[{
{None,τ},
RotationSuperoperator[{1,2},{π,"y"}],
{None,τ}
},n1]
}

SigTable=Table[Re@FT@Signal1D[{{2π 1200,"2k"}},InitialDensityOperator-> ρstart[5.8/(5.8+4.8)],BackgroundGenerator->(H0/.params),Preparation->S2M902[0.0158,14,7,x],Observable->-I opI[Hspins,"-"],PlotRange-> All,LineBroadening->40],{x,0,2π, 2π/36}];

OffTable=Table[{+(#[[1]]+300*(i-1))/(3600*3)*360,#[[2]]/0.0004}&/@SigTable[[i]],{i,1,37,1}];

ListPlot[OffTable,PlotStyle->{{Blue,Thickness[0.001]}},PlotRange->{{-20,380},All},FrameTicks->{{{0,2,4,6},None},{{0,90,180, 270,360},None}}]

Data=Import["/Users/sjo1e12/Documents/PhD/Fumarate/spectranew.csv"];

DataN=Transpose[Data];

Something=Table[Table[{Data[[i,1]],Data[[i,k]]},{i,2,4950,1}],{k,2,37,1}];

OffTable3=Table[{(#[[1]]-6.7+((i-1)*0.2))/(0.2*36)*360,#[[2]]/65/1.14/1.25}&/@Something[[i]],{i,1,36,1}];

Column[{ListPlot[OffTable3,PlotStyle->{{Black,Thickness[0.001]}},FrameTicks->{{{0,2,4,6},None},{{0,90,180, 270,360},None}}],
ListPlot[OffTable,PlotStyle->{{Blue,Thickness[0.001]}},PlotRange->{{-20,380},All},FrameTicks->{{{0,2,4,6},None},{{0,90,180, 270,360},None}}]}]