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Examples

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.

adaptiveaverage.m | Signal averaging using the EWRLS adaptive filter method |

deadtime.m | ESEEM dead time correction with ctafft() |

denoise.m | Various methods for de-noising spectral data |

endorperturb.m | ENDOR simulations: matrix diagonalization vs perturbation theory |

endorseparate.m | 1H ENDOR, summed and separate output |

endorsimple.m | 1H ENDOR of a powder |

excitew.m | ENDOR excitation widths and orientation selectivity |

manynuclei.m | Orientation-selective ENDOR of many protons |

mn_cluster_ps2.m | ENDOR of the tetranuclear Mn cluster in photosystem II (S2 state) |

oripreselect.m | Speed-up of ENDOR simulations using orientation pre-selection |

oripreselect2.m | Speed-up of ENDOR simulations using orientation pre-selection |

oriselection.m | ENDOR orientation selection in a powder |

userpreselect.m | User-supplied orientation pre-selection |

chemicalexchange_norris.m | Multi-site chemical exchange |

fast_fnb.m | Parafluoronitrobenzene (multinuclear system), fast-motional regime |

fremysalt.m | Fremy's salt (PADS), motional narrowing |

nitroxide_ftcorr.m | Nitroxide radical, various correlation times |

basicfit.m | Basic example of spectral fitting using EasySpin |

fitscaling.m | Impact of different scaling methods on fitted parameters |

fittarget.m | Fitting the spectrum vs fitting its integral |

globallocal.m | Genetic algorithm combined with local simplex search |

multicomponents.m | Fitting a multi-component spectrum |

pentacenefit.m | Fitting the spectrum of pentacene anion radical |

twocompfit.m | Fitting a two-component spectrum |

biarylradical.m | Bridged biaryl cation radical (1000s of lines) |

biphenyl.m | Biphenyl radical anion |

cobalttrimer.m | Cobalt trimer |

isotopemix.m | Simple isotope mixture |

naphthalene.m | Naphthalene radical anion and cation |

pentacene.m | Pentacene radical anion and cation |

phenalenyl.m | Phenalenyl radical anion, including 13C satellite lines |

phenalenyl_manual.m | Phenalenyl radical anion, including 13C satellite lines |

cobaltdimer_magnetization.m | Magnetization curve of a cobald dimer complex (crystal) |

curry_curie_law.m | Susceptibility for S=1/2 using curry and explicit Curie law |

magnetization_tempdep.m | Temperature-dependence of magnetization |

squid_basic.m | Temperature dependence of magnetic moment and susceptibility |

squid_twospins.m | Temperature dependence of magnetic moment and susceptibility |

susceptibility.m | Temperature dependence of magnetic susceptibility |

custom_3p.m | Three-pulse ESEEM sequence with user-defined sequence |

custom_hyscore.m | HYSCORE with non-ideal pulses |

deer_simple.m | DEER from a simple system with two spins-1/2 (powder) |

hh_threepulse.m | Three-pulse ESEEM of two 1H nuclei (saffron) |

hyscoresimple.m | HYSCORE of a 14N nucleus (saffron) |

n14_twopulse.m | Two-pulse ESEEM of a 14N nucleus (saffron) |

orisel2p.m | Orientation-selective three-pulse ESEEM (saffron) |

pulsprof.m | Excitation profile of a mw pulse |

threepeseem.m | Manual simulation of three-pulse ESEEM (density matrix) |

twopecho.m | Simulation of a two-pulse echo using the density matrix |

twopeseem.m | Manual two-pulse ESEEM simulation (density matrix) |

cupc.m | Slow-motion spectrum of copper phthalocyanine in sulfuric acid |

nitroxide_basic.m | Simple slow-motional cw EPR spectrum simulation of a nitroxide radical |

nitroxide_frq.m | Frequency dependence of nitroxide slow-motional spectra |

nitroxide_tcorr.m | Correlation time dependence of a nitroxide spectrum |

orderparameter.m | Calculate order parameter S(2,0) |

slow_fast.m | Comparison between fast- and slow-motion simulation algorithms |

tempone.m | Slow-motional EPR spectrum of TEMPONE |

tumbling.m | Effect of tumbling on an axial g tensor |

xchange.m | Effect of Heisenberg exchange in a nitroxide sample |

broaden.m | Line broadening models for cw EPR spectra |

copper_nitrogens.m | Cu2+ with four imidazole nitrogens |

copper_sxq.m | A Cu(II) complex at S, X and Q band |

criii.m | Cr(III) at Q band |

crystalroadmap.m | Resonance roadmap from single crystal rotation |

crystalrotation.m | Spectra from single crystal rotation |

cuedta.m | Mixture of two copper-EDTA complexes |

cumnt2.m | [Cu(mnt)2] at 1.4 GHz, single-crystal |

dstrain_corr.m | Demonstration of correlated D-E strain |

eespins.m | Two coupled electrons |

freq_vs_field_sweeps.m | Comparison of field sweep and frequency sweep cw EPR |

freqsweep.m | Basic frequency-swept EPR spectrum |

gstrain.m | Effect of g strain at various mw frequencies |

inhomogeneous.m | How to use custom inhomogeneous distributions |

matrixperturb.m | Matrix diagonalization vs perturbation theory |

mn_strain.m | Mn(II) at X band with D strain |

nonequipop1.m | Triplet powder spectrum, with non-equilibrium populations (simple) |

nonequipop2.m | Single-crystal spectra of triplet with non-equilibrium populations |

partial_order.m | An partially oriented Cu(II) complex |

photosystem2_oec.m | EPR spectrum of the S2 state of the oxygen evolving complex |

temp.m | Temperature effects for cw EPR |

trifluormethyl.m | CF3 radical in gas matrix at low temperature |

triplet_C60fullerene.m | Exited triplet state EPR of C60 fullerene |

triplet_naphthalene.m | Photo-excited triplet state of naphthalene |

triplet_triphenylbenzene.m | Ground-state triplet of triphenylbenzene di-anion |

cwmultiphoton.m | Cw EPR as a multiphoton experiment |

overmodulation.m | Effect of modulation amplitude on the line shape in cw EPR |

resonatorcoupling.m | Tuning picture of a cw EPR spectrometer |

rotplane.m | Compute a set orientations in a plane |

spinopxyz.m | Quick way to compute spin matrices by hand |

symmdemo.m | Hamiltonian symmetry using symm() |

terbium.m | Resonances of a Tb4+ system, animated |