COSY update

MOIN/functions/lib/COSY_ZULF_Spectrum.m

@@ -31,10 +31,10 @@ function [spec] = COSY_ZULF_Spectrum(ex,r0,spec)
         spec.FID.X(it2,:) = spec.FID.X(it2,:).*exp(-spec.AQTime1'*spec.R2);
         spec.FID.Y(it2,:) = spec.FID.Y(it2,:).*exp(-spec.AQTime1'*spec.R2);
     end
-    %% spectrum
-    spec.spec.X = fftshift(fftshift(fft(fft(spec.FID.X')'),2),1); %FFT in indirect dimension            
-    spec.spec.Y = fftshift(fftshift(fft(fft(spec.FID.Y')'),2),1); %FFT in indirect dimension            
-    
+    %% spectrum    
+    spec.spec.X = fftshift(fft(fft(spec.FID.X')')); %FFT in indirect dimension            % 1, 2
+    spec.spec.Y = fftshift(fft(fft(spec.FID.Y')')); %FFT in indirect dimension            % 1, 2
+
     spec.FRQ2 = (-spec.TD2/2-0.5:1:spec.TD2/2-1-0.5)*spec.SR2'; %indirect frequency domain
     spec.FRQ1 = (-spec.TD1/2-0.5:1:spec.TD1/2-1-0.5)*spec.SR1'; %indirect frequency domain
 end

ZULF_COSY/COSY_Spectrum.m

@@ -4,22 +4,24 @@ tic
 p=LoadPath();
 Folder = "out\ZULF_COSY_";
 %% change parameters here %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-spec.B0 = 6900*1e-9;        % [T] observation field
-spec.Bm = 0.*1e-9;           % [T] mixing field
-spec.R2=1/10;                % phenomenological 1/T2* = [s-1]
-spec.FWHM = 1/(pi*spec.R2); % FWHM in Hz
-spec.SW1=10;                % spetral width in indirect dimension [Hz]
-spec.TD1=64*2;              % number of points in indirect dimension
-spec.SW2=630  ;             % spectral width in direct dimension [Hz]
-spec.TD2=1024*2 ;           % spectral number of points in FID  
-JAX=1.27;                     % AX spin coupling
-pA = 0.1;                   % polarization of spins A
-pX = -1;                    % polarization of the spin X
+spec.B0 = 10760*1e-9;           % [T] observation field
+spec.Bm = 10760*1e-9;           % [T] mixing field
+spec.R2=1/10;                   % phenomenological 1/T2* = [s-1]
+spec.FWHM = 1/(pi*spec.R2);     % FWHM in Hz
+spec.SW1=500*2;                % spetral width in indirect dimension [Hz]
+spec.TD1=128*2*2;              % number of points in indirect dimension
+spec.SW2=2*500  ;             % spectral width in direct dimension [Hz]
+spec.TD2=128*2*2 ;           % spectral number of points in FID  
+JAX=2;                     % AX spin coupling
+pA = 0.0;                   % polarization of spins A
+pX = 10;                    % polarization of the spin X
 System_ID = 46;             % AX is system 44 %A2X is system 45; %A3X is system 46
 %% Load System %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 System=Load_System_Name(System_ID); 
 ex=Load_System(System,JAX);
 ex.Folder=Folder+System+"COSY_ZULF_.mat";
+va = spec.B0*ex.S.gamma{1}/(2*pi) % Hz
+vX = spec.B0*ex.S.gamma{end}/(2*pi) % Hz
 %% Initial state %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 r0   = DensityMatrix(ex.S.U + (pA*ex.S.Dir("Z",1:ex.S.N-1) + pX*ex.S.Dir("Z",ex.S.N))); 
 %r0 = get_initial_state(12,ex);