Here is a collection of examples for the use of EasySpin, divided into several categories. They are an excellent starting point for writing your own code.
The examples are organized in the following groups:
adaptiveaverage | Signal averaging using the EWRLS adaptive filter method |
deadtime | ESEEM dead time correction with ctafft() |
denoise | Various methods for de-noising spectral data |
endorperturb | ENDOR simulations: matrix diagonalization vs perturbation theory |
endorseparate | 1H ENDOR, summed and separate output |
endorsimple | 1H ENDOR of a powder |
excitew | ENDOR excitation widths and orientation selectivity |
manynuclei | Orientation-selective ENDOR of many protons |
mn_cluster_ps2 | ENDOR of the tetranuclear Mn cluster in photosystem II (S2 state) |
oripreselect | Speed-up of ENDOR simulations using orientation pre-selection |
oripreselect2 | Speed-up of ENDOR simulations using orientation pre-selection |
oriselection | ENDOR orientation selection in a powder |
userpreselect | User-supplied orientation pre-selection |
basicfit | Basic example of spectral fitting using EasySpin |
curry_fit | Fitting magnetic susceptibility curve |
fit_multifreq | Using a custom function for globally fitting multiple EPR spectra |
fittarget | Fitting the spectrum vs fitting its integral |
globallocal | Genetic algorithm combined with local simplex search |
multicomponents | Fitting a multi-component spectrum |
pentacenefit | Fitting the spectrum of pentacene anion radical |
twocompfit | Fitting a two-component spectrum |
userfun_esfitalgorithm | Using esfit for non-EasySpin model functions |
biarylradical | Bridged biaryl cation radical (1000s of lines) |
biphenyl | Biphenyl radical anion |
cobalttrimer | Cobalt trimer |
fast_fnb | Parafluoronitrobenzene (multinuclear system), fast-motional regime |
fremysalt | Fremy's salt (PADS), motional narrowing |
isotopemix | Simple isotope mixture |
naphthalene | Naphthalene radical anion and cation |
nitroxide_ftcorr | Nitroxide radical, various correlation times |
pentacene | Pentacene radical anion and cation |
phenalenyl | Phenalenyl radical anion, including 13C satellite lines |
phenalenyl_manual | Phenalenyl radical anion, including 13C satellite lines |
trityl_13c_satellites | Isotropic spectrum of trityl radical including 13C satellite lines |
cobaltdimer_magnetization | Magnetization curve of a cobald dimer complex (crystal) |
curry_curie_law | Susceptibility for S=1/2 using curry and explicit Curie law |
effectivemagneticmoment | Comparison of magnetic moment and effective magnetic moment |
magnetization_tempdep | Temperature-dependence of magnetization |
squid_basic | Temperature dependence of magnetic moment and susceptibility |
squid_twospins | Temperature dependence of magnetic moment and susceptibility |
susceptibility | Temperature dependence of magnetic susceptibility |
quartet_PDITEMPO | Photoexcited quartet state |
quintet_anthracenebisnitroxide | Excited quintet state EPR of nitroxide-anthracene-nitroxide |
scpp_P3HTPCBM | Spin-correlated P3HT•+ and PCBM•- polaron pair |
scrp_PSI_multifreq | Spin Correlated Radical Pair |
scrp_TTFANIPI | Spin Correlated Radical Pair |
scrp_photoselection | Photoselection effects on spin-correlated radical pair spectrum |
scrp_spinpolarized_precursors | Spin-correlated radical pairs with different precursors |
scrp_spinpolarized_transitions | Spin-correlated radical pairs with different exchange and |
triplet_C60fullerene | Exited triplet state EPR of C60 fullerene |
triplet_crystal_spinpolarized | Single-crystal spectra of inter-system crossing spin-polarized triplet |
triplet_doublet_coupled | |
triplet_photoselection | Photoselection for spin-polarized triplet EPR spectrum |
triplet_photoselection_isounpol | Comparison of triplet spectrum obtained by photoexcitation with |
triplet_photoselection_oriplot | Photoselection for spin-polarized triplet EPR spectrum |
triplet_photoselection_perppariso | EPR spectrum of triplet photoexcited with linearly polarized light |
triplet_recombination | Time-resolved EPR spectrum of recombination triplet in photosystem II |
triplet_spinpolarized | Powder spectrum of spin-polarized triplet (simple) |
triplet_zerofieldbasis_axialzfs | Powder spectrum of spin-polarized triplet with axial ZFS |
tripletpair_singletfission | Triplet state and pair of strongly-exchange coupled |
deer_simple | DEER from a simple system with two spins-1/2 (powder) |
pulsprof | Excitation profile of a mw pulse |
threepeseem | Manual simulation of three-pulse ESEEM (density matrix) |
twopecho | Simulation of a two-pulse echo using the density matrix |
twopeseem | Manual two-pulse ESEEM simulation (density matrix) |
custom_2p_echo | Two-pulse echo transient using chirp pulses (saffron) |
custom_3p | Three-pulse ESEEM sequence with user-defined sequence |
custom_3p_transient_detection | Three-pulse ESEEM sequence with user-defined sequence |
custom_3pecho_withPhasecycling | Three-pulse echo with phasecycling (saffron) |
custom_echo_indirectdimensions | Two-pulse echo using chirp pulses (saffron) |
custom_hyscore | HYSCORE with non-ideal pulses |
hh_threepulse | Three-pulse ESEEM of two 1H nuclei (saffron) |
hyscoresimple | HYSCORE of S=1/2 with a 14N nucleus (saffron) |
n14_twopulse | Two-pulse ESEEM of a 14N nucleus (saffron) |
orisel2p | Orientation-selective three-pulse ESEEM (saffron) |
Downconversion | Digital downconversion and quadrature detection for a real input signal |
IQupconversion | Upconversion of an IQ signal to an intermediate frequency (IF) |
ResonatorBandwidthCompensation | Resonator bandwidth compensation by chirp rate adaptation |
ResonatorSimulation | Illustration of the effect of the resonator on pulse shapes and pulse |
SSBupconversion | Single sideband upconversion with upsampling |
TransmitterNonlinearity | Illustration of amplitude compression and compensation for transmitter |
chirpechopulses | WURST chirp pi/2 and pi pulses |
higherordersechpulses | First order sech/tanh and higher order sech inversion pulses |
sechtanhinversionpulse | Comparison of excitation profiles of a rectangular and sech/tanh pulse |
adiabatic_passage | Spin trajectory during adiabatic passage (spidyan) |
advanced_options | Advanced options for spindynamics (spidyan) |
inversion_pulses | Spin trajectories with three different inversion pulses (spidyan) |
moving_pulses | Moving a pulse with Exp.Dim (spidyan) |
multidimensional_experiments | Setting up indirect dimensions (spidyan) |
populationtransfer | Enhancement of central transition in a S = 3/2 system (spidyan) |
rabi_oscillation | Rabi oscillation (spidyan) |
relaxation | Relaxation (spidyan) |
resonatorlimitations | Resonator limitations and compensation (spidyan) |
spin_selective_excitation | Selective excitation of two spins with identical resonance frequency (spidyan) |
spinecho_gaussianline | Spin echo of a Gaussian line (spidyan) |
spinecho_nitroxide | Spin echo of a nitroxide using spidyan (spidyan) |
cupc | Slow-motion spectrum of copper phthalocyanine in sulfuric acid |
nitroxide_basic | Simple slow-motional cw EPR spectrum simulation of a nitroxide radical |
nitroxide_frq | Frequency dependence of nitroxide slow-motional spectra |
nitroxide_potential | Nitroxide slow-motional cw EPR spectrum with an orientational potential |
nitroxide_tcorr | Correlation time dependence of a nitroxide spectrum |
orderparameter | Calculate order parameter S(2,0) |
orientpotential | Effect of orientational potential on slow-motion an rigid-limit EPR spectra |
rhombicdiffusion | Comparison between fast- and slow-motion simulation algorithms |
slow_fast | Comparison between fast- and slow-motion simulation algorithms |
tempone | Slow-motional EPR spectrum of TEMPONE |
tumbling | Effect of tumbling on EPR spectrum of axial g tensor |
xchange | Effect of Heisenberg exchange in a nitroxide sample |
broaden | Line broadening models for cw EPR spectra |
chromium_iii | Cr(III) at Q band |
copper_nitrogens | Cu2+ with four imidazole nitrogens |
copper_sxq | A Cu(II) complex at S, X and Q band |
crystal_sites | Single-crystal spectra with separate output of site spectra |
crystalroadmap | Resonance roadmap from single-crystal rotation |
crystalrotation | Single-crystal spectra with sample rotation |
cuedta | Mixture of two copper-EDTA complexes |
cumnt2 | L-band single-crystal EPR spectrum of a Cu(II) complex |
dstrain_corr | Demonstration of correlated D-E strain |
eespins | Two coupled electrons |
freq_vs_field_sweeps | Comparison of field sweep and frequency sweep cw EPR |
freqsweep | Basic frequency-swept EPR spectrum |
gd_transitions | Gd complex: individual transitions |
gstrain | Effect of g strain at various mw frequencies |
inhomogeneous | How to use custom inhomogeneous distributions |
iron_highspin | High-spin Fe(III), X band CW EPR |
matrixperturb | Matrix diagonalization vs perturbation theory |
mn_strain | Mn(II) at X band with D strain |
partial_order_function | Partial ordering using custom function |
partial_order_simple | A partially oriented Cu(II) complex |
photosystem2_oec | EPR spectrum of the S2 state of the oxygen evolving complex |
temp | Temperature effects for cw EPR |
trifluormethyl | CF3 radical in gas matrix at low temperature |
triplet_halffieldintensity | Triplet half-field transition and D strain |
triplet_naphthalene | Photo-excited triplet state of naphthalene |
triplet_triphenylbenzene | Ground-state triplet of triphenylbenzene di-anion |
cardamom_brownian_diffusion | Simulate a motional cw EPR spectrum using cardamom and chili |
cardamom_jump | Simulate a cw EPR spectrum using a jump model between 3 states with |
cardamom_md_direct_nitroxide | Simulation of a cw EPR spectrum using a molecular dynamics trajectory of |
cardamom_restricted_diffusion | Simulate a cw EPR spectrum with an orientational potential using cardamom |
trajectories_diffusion | Trajectories of stochastic rotational diffusion |
trajectories_diffusion_userpot | Trajectories of stochastic rotational diffusion |
trajectories_jump | Trajectories of Markovian jumps between discrete states |
trajectories_local_global | Trajectories of coupled stochastic rotational diffusion |
chemicalexchange_norris | Multi-site chemical exchange |
cwmultiphoton | Cw EPR as a multiphoton experiment |
deer_simulation | Simulate a 4-pulse DEER signal |
hamsymmdemo | Hamiltonian symmetry using hamsymm() |
overmodulation | Effect of modulation amplitude on the line shape in cw EPR |
resonatorcoupling | Tuning picture of a cw EPR spectrometer |
rotationplane | Compute a set orientations in a plane |
spinopxyz | Quick way to compute spin matrices by hand |
terbium | EPR resonance fields of a Tb(IV) system, animated |
zfs_strain_distribution | Plot of (D,E) distribution given by D, DStrain and DStainCorr |