Search found 134 matches
- Thu Sep 10, 2020 10:49 am
- Forum: General forum
- Topic: Double integral values in EasySpin vs. Xenon
- Replies: 4
- Views: 3553
Re: Double integral values in EasySpin vs. Xenon
I see three potential sources for the differences. The first, you're using cumsum and sum , you forgot to weight the integral with the field step size (look at Stefan's example). But if you're consistent, field range and number of points always the same, it doesn't really matter. The second do origi...
- Mon Sep 07, 2020 2:23 pm
- Forum: General forum
- Topic: Number of points affects resonance position
- Replies: 4
- Views: 2644
Re: Number of points affects resonance position
This is an issue with the binning of the datapoints when you are under-sampling to this extent. Resfields calculates the resonant field position, that in-turn gets interpolated to fit your desired field range and number of points. Try setting your linewidth to zero and the harmonic to zero. What end...
- Wed Jun 20, 2018 10:12 am
- Forum: General forum
- Topic: Exporting Simulated Data
- Replies: 2
- Views: 1915
Re: Exporting Simulated Data
B correspond to the abscissa of the simulation, most of the simulation functions provide both the x axis and the y axis as outputs, presumably spc if the y axis, so just change whatever you have the x axis output into.
- Tue Jun 19, 2018 8:18 am
- Forum: General forum
- Topic: ESEEM simulation problem
- Replies: 4
- Views: 2235
Re: ESEEM simulation problem
1. You calculated your excitation width in MHz Exp.ExciteWidth = 1000/32; so then just use the built in function mhz2mt(1000/32) to get an estimate of your excitewidth in field units. 2. With respect to increasing the bandwidth of your excitation, that is experimentally determined. However you do ne...
- Mon Jun 18, 2018 6:59 am
- Forum: General forum
- Topic: ESEEM simulation problem
- Replies: 4
- Views: 2235
Re: ESEEM simulation problem
You need to either increase your excitation width or move the field/frequency. Where you are trying to simulated the ESEEM is just outside the spectrum. clear Sys.S = 1/2; Sys.g = [2.613 2.113 2.030]; Exp.mwFreq = 33.986; pepper(Sys,Exp) The highfield feature is at 1198 mT and your excitation width ...
- Wed Jun 13, 2018 7:17 am
- Forum: Bugs
- Topic: Undefined function or variable 'eprload'
- Replies: 1
- Views: 2512
Re: Undefined function or variable 'eprload'
If you could provide us with an example d01 file, we can modify eprload appropriately.
- Fri Mar 16, 2018 9:36 am
- Forum: Bugs
- Topic: discrepancy between pepper and esfit simulation
- Replies: 4
- Views: 3304
Re: discrepancy between pepper and esfit simulation
Your simulation magnetic field range doesn't match with your experimental range. Usually its best to pull those from the actual experimental parameters so you don't run into errors. clear; [B_exp,spc_exp,Params]=eprload('BE3_P2M1_G30_chp_large-bl.DTA'); B_exp = B_exp/10; Sys.S = 1/2; Sys.g = [2.06 2...
- Fri Mar 16, 2018 9:12 am
- Forum: Bugs
- Topic: discrepancy between pepper and esfit simulation
- Replies: 4
- Views: 3304
Re: discrepancy between pepper and esfit simulation
You'll also need to include the .dsc file.
- Tue Mar 06, 2018 8:29 am
- Forum: General forum
- Topic: Hyperfinesplitting drawing program
- Replies: 10
- Views: 4905
Re: Hyperfinesplitting drawing program
For both N and H you generally don't need to worry about natural isotope mixtures, as their isotope abundances <<1%.moreutz wrote:Thank you very much!
Unfortunately I have an natural isoptope mixture (Sys.Nucs = 'N,H')..
- Mon Feb 26, 2018 9:29 am
- Forum: General forum
- Topic: Different intensities between experimental spectrum and simu
- Replies: 1
- Views: 1083
Re: Different intensities between experimental spectrum and
You can use the
rescale
function to scale your simulation to best match your experimental spectrum.