Esfit - Warning: Rank Deficient
Posted: Wed Sep 04, 2019 12:13 pm
Hello,
After the EasySpin Academy, I have been working on trying to fit my spin-labeled protein spectra, and am having issues. I need to fit with 2 components for a nitroxide spin label and this is the code I have:
Upon running this and choosing any of the fitting algorithms, the following appears repeatedly in the command line, while no fitting occurs (no matter how few parameters I tell it to fit):
Warning: Rank deficient, rank = 1, tol = 2.057952e-11.
> In rescale
In esfit
In esfit_genetic
In esfit
Are there any issues with my code that I am unaware of that is causing this to happen? I attached the DSC file so that this code can be ran if necessary.
Thanks ahead of time!
-Sam
After the EasySpin Academy, I have been working on trying to fit my spin-labeled protein spectra, and am having issues. I need to fit with 2 components for a nitroxide spin label and this is the code I have:
Code: Select all
clear,clc,clf
[B,spc] = eprload('M9_Only_S184R1a_pR_190806');
Spc = spc{1}; % to pick out only the derivative spectrum
B = B/10; %G to mT
Exp.mwFreq = 9.830268; %GHz
Exp.ModAmp = 2/10; %mT
Exp.nPoints = 2048;
Exp.Temperature = 298; %K
Exp.CenterSweep = [3511/10 150/10]; %mT
Exp.CrystalOrientation = [];
Sys.S = 1/2;
Sys.Nucs = '14N';
%mobile component
Sys1 = Sys;
Az_m = mt2mhz((-349.2+353.02)/2); %MHz
Sys1.A = [Az_m/20 Az_m/5 Az_m+60]; %MHz
Sys1.logtcorr = -8.7;
Sys1.Potential = [2 0 0 0.2];
Sys1.lwpp = 0.6;
[B2,spc2] = chili(Sys1,Exp);
%immobile component
Sys2 = Sys;
Az_i = mt2mhz((-348.27+354.96)/2); %mT -> MHz
Sys2.A = [Az_i/5 Az_i/5 Az_i+15]; %mT -> MHz
Sys2.logtcorr = -8.2218; %6 ns
Sys2.Potential = [2 0 0 2.5];
Sys2.lwpp = 0.5;
[B3,spc3] = chili(Sys2,Exp);
Sys1.weight = 0.5
Sys2.weight = 1-Sys1.weight
Var.g = [0.005 0.005 0.005];
Var.Potential = [0 0 0 2];
Var.weight = 0.5
Var.logtcorr = 0.5
Var1 = Var;
Var2 = Var;
Var1.A = [Az_m/5 Az_m/5 Az_m/5];
Var2.A = [Az_i/5 Az_i/5 Az_i/5];
esfit('chili',Spc,{Sys1,Sys2},{Var1,Var2},Exp);
Warning: Rank deficient, rank = 1, tol = 2.057952e-11.
> In rescale
In esfit
In esfit_genetic
In esfit
Are there any issues with my code that I am unaware of that is causing this to happen? I attached the DSC file so that this code can be ran if necessary.
Thanks ahead of time!
-Sam