mwPhase not converting

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Kantini
Newbie
Posts: 1
Joined: Fri Sep 15, 2023 5:06 am

mwPhase not converting

Post by Kantini »

Hello EasySpin Team,

I want to figure out the mixing ratio of the dispersion and absorption in our data, but apparently the mwPhase doesn't convert the spectrum for systems including nuclei with even nuclear spin, or if no nuclear/hyperfine coupling is noted. In theory, the considered spin system and the nature of its interacting nuclei should not effect the microwave phase, if I'm not mistaken.
I'm running this code on Version 6.0.0-dev.53.

In the following you can find my code, where the spin system containing a nitrogen is nicely converted to a dispersion signal, while it doesn't happen for 12C (but it works if 13C is used!).
I hope there is an easy fix for my problem.

Thank you for the help and support in advance!

% -------------------------------------------------------------------------

% Spin: Nitrogen System
SysN.S = 1/2;
SysN.g = 2.002;
SysN.Nucs = ['N'];
SysN.A = [10 40 40];
SysN.lwpp = [5 0]; % mT

% Spin: Carbon System , change 12C to 13C for correct result
SysC.S = 1/2;
SysC.g = 2.002;
SysC.Nucs = ['12C'];
SysC.A = [40 50 40];
SysC.lwpp = [5 0]; % mT

% set the two experiment settings for Absorption and Dispersion:
expAbs.mwPhase = 0; % Absoprtion
expDis.mwPhase = pi*1/2; % Dispersion

expAbs.Harmonic = 1;
expDis.Harmonic = 1;

% frequency sweep:
% -------------------------------------------------------------------------
expAbs.mwRange = [7.5 7.7]; % GHz
expAbs.Field = 271; % mT
expDis.mwRange = [7.5 7.7]; % GHz
expDis.Field = 271; % mT

% B0 field sweep:
% -------------------------------------------------------------------------
% expAbs.CenterSweep = [271, 100]; %mT
% expDis.CenterSweep = [271, 100]; %mT
% expAbs.mwFreq = 7.6; % GHz
% expDis.mwFreq = 7.6; % GHz

% N mixed with expAbs and expDis
[B, spcNabs] = pepper(SysN, expAbs); % Abs
[B, spcNdis] = pepper(SysN, expDis); % Dis
% C mixed with expAbs and expDis
[B, spcCabs] = pepper(SysC, expAbs); % Abs
[B, spcCdis] = pepper(SysC, expDis); % Dis

plot(B, spcCabs, B, spcCdis, '--',B, spcNabs, 'black', B, spcNdis, 'black');
legend('C Abs', 'C Dis', 'N Abs', 'N Dis')

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: mwPhase not converting

Post by Stefan Stoll »

This is a bug. It occurs when the spectrum consists of a single line, like in your 12C case, and no Lorentzian broadening is given.

As a workaround, add a bit of Lorentzian broadening.

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