because of some back compatibility test I was forced to compare static 2H spectra simulation between spinach and Weblab.
I have a suspicious that there is a miss-compatibility in script weblab2nqi for 4 and 6 sites.
https://weblab2.mpip-mainz.mpg.de/webla ... hod=1decho Type of Motion
for 4-side jump it should be in step of 90deg and for 6-side 60deg
in weblab2nqi I see
Code: Select all
case 4
% Four output arguments, fixed phi values
if ~isempty(phi)
disp('WARNING: phi was overwritten to [0 1 2 3]*pi/4');
end
varargout{1}=eeqq2nqi(C_q,eta_q,I,[0*pi/4 theta alpha]);
varargout{2}=eeqq2nqi(C_q,eta_q,I,[1*pi/4 theta alpha]);
varargout{3}=eeqq2nqi(C_q,eta_q,I,[2*pi/4 theta alpha]);
varargout{4}=eeqq2nqi(C_q,eta_q,I,[3*pi/4 theta alpha]);
case 6
% Six output arguments, fixed phi values
if ~isempty(phi)
disp('WARNING: phi was overwritten to [0 1 2 3 4 5]*pi/6');
end
varargout{1}=eeqq2nqi(C_q,eta_q,I,[0*pi/6 theta alpha]);
varargout{2}=eeqq2nqi(C_q,eta_q,I,[1*pi/6 theta alpha]);
varargout{3}=eeqq2nqi(C_q,eta_q,I,[2*pi/6 theta alpha]);
varargout{4}=eeqq2nqi(C_q,eta_q,I,[3*pi/6 theta alpha]);
varargout{5}=eeqq2nqi(C_q,eta_q,I,[4*pi/6 theta alpha]);
varargout{6}=eeqq2nqi(C_q,eta_q,I,[5*pi/6 theta alpha]);