Search found 14 matches

by AMullen
Fri Feb 23, 2018 2:23 am
Forum: General forum
Topic: Weighting of simulations
Replies: 4
Views: 3838

Re: Weighting of simulations

It turns out the weightings I was getting previously were indeed correct (or at least approximately right), but I hadn't taken into account the actual spectral width/area under the curve (as you mentioned) of the contributions when doing the manual calculations. The values I got out from the linear ...
by AMullen
Thu Feb 22, 2018 4:28 am
Forum: General forum
Topic: Weighting of simulations
Replies: 4
Views: 3838

Re: Weighting of simulations

Thanks for the advice and explanation. I've now tried setting the Sys2 weight fixed at 1 (and kept line widths fixed too), with Sys1 varying around it, and vice versa; it still goes towards a heavier relative weighting on Sys1 than Sys2. This doesn't make sense to me when I look at the features of t...
by AMullen
Wed Feb 21, 2018 10:22 am
Forum: General forum
Topic: Weighting of simulations
Replies: 4
Views: 3838

Weighting of simulations

Hi, I'm trying to simulate and fit two systems to several spectra, showing progression of weighting/majority contributions of one system to the other. However, this has been difficult to make sense of in regards to the Sys.weight variable. For a comparison, I have done the weighting progression manu...
by AMullen
Tue Oct 10, 2017 2:30 am
Forum: General forum
Topic: Dipolar coupling axiality
Replies: 3
Views: 3381

Re: Dipolar coupling axiality

Thanks! I'll give that a try. If I get it working I'll post a copy of the script for any others looking at a similar problem.
by AMullen
Mon Oct 09, 2017 7:13 am
Forum: General forum
Topic: Dipolar coupling axiality
Replies: 3
Views: 3381

Dipolar coupling axiality

Hi, I'm trying to fit the dipolar broadening of a doubly labelled protein seen in the low temperature cw-EPR spectrum at X-band using best-fit parameters from one of the singly labelled components and adding in a 'Sys.ee'. Is there any way of specifying to easyspin that the dipolar coupling should r...
by AMullen
Mon Jan 16, 2017 9:27 am
Forum: General forum
Topic: Multifrequency esfit errors
Replies: 8
Views: 5123

Re: Multifrequency esfit errors

All of the spectrometers I use export in DTA format, so I've had no issues with that, but that's certainly useful to know, thanks! I've managed to resolve my error problems. At first I tried updating to the newest version of EasySpin (from 5.1.5 to 5.1.9 this morning) to no avail, but it seems movin...
by AMullen
Thu Jan 12, 2017 10:09 am
Forum: General forum
Topic: Multifrequency esfit errors
Replies: 8
Views: 5123

Re: Multifrequency esfit errors

I have just tried on another computer as well, and it runs fine. It must be a problem with my computer/versions. I apologise for the inconvenience! I will try using a different ES version to see if it persists. Thank you for your time anyway.
by AMullen
Thu Jan 12, 2017 9:27 am
Forum: General forum
Topic: Multifrequency esfit errors
Replies: 8
Views: 5123

Re: Multifrequency esfit errors

Sorry!
by AMullen
Wed Jan 11, 2017 9:03 am
Forum: General forum
Topic: Multifrequency esfit errors
Replies: 8
Views: 5123

Re: Multifrequency esfit errors

See below (I additionally use Morgan Bye's EPRtoolbox for cwzero): %Calls multifreq function to simulate and fit to 2 diff frequencies clear; clc; %load in your epr data [b1,y1,p1] = eprload('161209_HH_dW3_PAA_12K'); % X-band spectrum [b2,y2,p2] = eprload('161221_HH_PAA_dW3_002'); % Q-band spectrum ...
by AMullen
Wed Jan 11, 2017 5:54 am
Forum: General forum
Topic: Multifrequency esfit errors
Replies: 8
Views: 5123

Multifrequency esfit errors

Hi, I've successfully performed fittings for multifrequency data before (using this topic: http://easyspin.org/forum/viewtopic.php?t=211). However, now I'm having problems and Matlab is throwing back errors when I try to start my fitting: Error using + Array dimensions must match for binary array op...