EasySpin forum

I've been using the attached script to generate crystal roadmaps in EasySpin 4.5.5. However, when I try and run it with version 5.0 the result is two clusters of overlapped spectra. The simulated spectra appear to be correct, it's just the spacing that is off. The same problem occurs when I attempt to run the 'crystalrotation' example file that came with the version 5.0.

Thanks.

A quick fix to your problem is to change your orientation vector from a column-wise per orientation to row-wise, just take the transpose of the orientation vector as you're generating it:
I'm not clear if this was an intentional change with CrystalOrientation.

This is an error in the example, thanks for noting it!

In Exp.CrystalOrientation, there should be one row per orientation.

So if you use Exp.CrystalOrientation = [phi.' theta.'], it should work as expected.