Hi,
I have just downloaded version 5.0.18 and ran a Pepper spectrum that was created and ran mostly using version 5.0.15.
When I run it in the newer version, the Harmonic seems to be "stuck" on 0.
I thought at first that perhaps this was the new default option but when I specified the Harmonic as 1, it was the same result.
Any suggestions ?
Thanks,
Adam
Harmonics
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- EasySpin Guru
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- Joined: Tue Jul 22, 2014 11:01 am
- Location: Northwestern University
Re: Harmonics
Do you have appreciable line-width on your simulation? If your linewidth is less than than FieldRange/nPoints pepper can't appropriately calculate the harmonics so it defaults to the absorption spectrum.
Re: Harmonics
Well all I know is that the line width is set to the same value on both versions and they give different results but I shall try a larger line width and see what happens.
Re: Harmonics
Increasing the line width did the trick ! It seems as though version 5.0.5 lets you "get away" with a smaller line width when it comes to observing the first derivative spectrum.
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- EasySpin Creator
- Posts: 1120
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: Harmonics
Indeed, this is a case where we have slightly tightened ES. Convolution of a stick spectrum with a line width that's narrower than the field increment is generally not useful.