fixing weight contributions to equal 1
I am fitting nitroxide spectra of an intrinsically disordered protein using a two component chili script. As I titrate on a binding partner, I'm monitoring the percent contribution of the second, slower component as being the percent of bound protein. When I use the script (below), I'm not getting the weight distribution to add up to 1, but rather a value less than one in most cases. Is there a way to account for this in my script? Or would this indicate I'm missing a third component?
Script:
[B,spc] = eprload(['file']);
b = B/10;
plot(b,spc);
Exp.mwFreq = 9.408;
Exp.Range = [min(b), max(b)];
Exp.nPoints = numel(spc);
Sys1.g = [2.012 2.001 2.003];
Sys1.Nucs = '14N';
Sys1.A = [20 28 95];
Sys1.lwpp = [0.12];
Sys2.g = [2.009 2.005 2.0025];
Sys2.Nucs = '14N';
Sys2.A = [19 19 96];
Sys2.lwpp = [0.3];
Sys1.logtcorr = -9;
Sys2.logtcorr = -8;
Sys1.weight = 0.3;
Sys2.weight = 0.7;
Vary1.g = [0.01 0.01 0.01];
Vary2.g = [0.01 0.01 0.01];
Vary1.weight = 0.3;
Vary2.weight = 0.3;
Vary1.A = [5 5 10];
Vary2.A = [5 5 10];
Vary1.logtcorr = 0.5;
Vary2.logtcorr = 0.5;
Vary1.lwpp = 0.1;
Vary2.lwpp = 0.1;
esfit(@chili,spc,{Sys1, Sys2},{Vary1,Vary2},Exp);