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EasySpin functions - Category list

,
General | ||

easyspininfo | Information about EasySpin installation | |

easyspincompile | Compile EasySpin | |

Data import and export | ||

eprload | Read spectrum files in common EPR data formats | |

eprsave | Save data in Bruker EPR file format | |

orca2easyspin | Import ORCA calculation results | |

Spectral simulations | ||

esfit | Least-squares fitting of EPR spectra | |

garlic | Isotropic and fast-motion cw EPR spectra | |

chili | Slow-motion cw EPR spectra | |

pepper | Solid-state cw EPR spectra | |

saffron | Pulse EPR spectra | |

salt | ENDOR spectra | |

curry | Magnetometry data | |

blochsteady | Steady-state solutions of Bloch equations | |

nucfrq2d | Sketch of HYSCORE spectra | |

esfit | Least-squares fitting of EPR spectra | |

Utilities | ||

eprconvert | Graphical frequency/field/g value conversion utility | |

fastmotion | Fast-motion regime line width parameters from rotational correlation time. | |

isotopes | A browsable list of isotopes | |

mhz2mt | Unit conversion from MHz to mT | |

mt2mhz | Unit conversion from mT to MHz | |

pulse | Computes pulse functions for a series of amplitude- and phase-modulated pulses | |

exciteprofile | Pulse excitation profile calculation | |

rfmixer | Digital up- and downconversion | |

resonatorfunc | Resonator voltage reflection coefficient | |

zfsframes | Zero-field splitting tensor frames analysis | |

Spin systems | ||

spinladder | Computes spin Hamiltonians for the manifolds of a spin-coupled pair | |

nucspinadd | Adds a nuclear spin to a spin system | |

nucspinrmv | Removes a nuclear spin from a spin system | |

Data analysis | ||

addnoise | Add noise to a signal | |

basecorr | Polynomial baseline correction | |

ctafft | Cross-term averaged FFT | |

datasmooth | Moving averages: smoothing and differentiation | |

deriv | Numerical differentiation | |

ewrls | Least-squares adaptive filter averaging | |

exponfit | Exponential fitting | |

fdaxis | Frequency domain axis for FFT | |

fieldmod | Field modulation of EPR absorption spectra | |

rcfilt | RC filtering of EPR spectra | |

rescale | Rescale spectra | |

stackplot | Stacked plot of 1D data | |

Vectors, orientations and angles | ||

ang2vec | Converts polar angles to cartesian unit vector | |

degree | Conversion between radians and degrees | |

erot | Computes rotation matrix from Euler angles | |

eulang | Euler angles from rotation matrix | |

rotatecrystal | Rotate the crystal orientation for single-crystal experiments | |

rotaxi2mat | Convert rotation axis plus angle to rotation matrix | |

rotmat2axi | Convert rotation matrix to rotation axis plus angle | |

rotplane | Set of vectors/orientations in a plane | |

vec2ang | Polar angles from cartesian unit vector | |

Line shapes and windows | ||

apowin | Apodization windows. | |

convspec | Convolute spectrum with line shape | |

gaussian | Gaussian line shape | |

hilberttrans | Hilbert transform | |

lorentzian | Lorentzian line shape | |

lshape | General line shape function | |

makespec | Construct spectrum from peak positions and amplitudes | |

voigtian | Voigtian line shape function | |

Physical constants | ||

nucabund | Natural abundance of nuclear isotopes | |

nucdata | Nuclear spin data | |

nucgval | Nuclear g values | |

nucqmom | Nuclear electric quadrupole moments | |

nucspin | Nuclear spin quantum numbers | |

amu | Atomic unit of mass | |

angstrom | Molecular-scale length unit | |

avogadro | Avogadro constant | |

barn | Conventional unit of nuclear quadupole moments | |

bmagn | Bohr magneton | |

bohrrad | Bohr radius | |

boltzm | Boltzmann constant | |

clight | Vacuum speed of light | |

echarge | Elementary electric charge | |

emass | Mass of electron | |

eps0 | Electric constant, vacuum permittivity | |

evolt | Electron volt | |

faraday | Faraday constant | |

gfree | g value of the free electron | |

hartree | Atomic unit of energy | |

hbar | Reduced Planck constant | |

molgas | Molar gas constant | |

mu0 | Magnetic constant, vacuum permeability | |

nmagn | Nuclear magneton | |

nmass | Mass of neutron | |

planck | Planck constant | |

pmass | Mass of proton | |

rydberg | Rydberg constant | |

Spin physics | ||

cgmatrix | Transformation between uncoupled and coupled representations | |

commute | Commutator of two matrices | |

equivcouple | Coupling of equivalent spins | |

equivsplit | Splitting pattern for equivalent spins | |

hsdim | State space dimension of a spin system | |

larmorfrq | Larmor frequency of nuclear spins | |

sop | Spin operator matrices | |

spinvec | Spin quantum numbers in a spin system | |

stev | Extended Stevens operator matrices | |

Angular momentum | ||

clebschgordan | Clebsch-Gordan coefficients | |

plegendre | Legendre polynomials and Associated Legendre polynomials | |

spherharm | Spherical harmonics | |

wigner3j | Wigner 3-j symbols | |

wigner6j | Wigner 6-j symbols | |

wignerd | Wigner D-matrix | |

Energy levels, resonances and propagations | ||

eigfields | Resonance fields using eigenfield equation | |

endorfrq | ENDOR frequencies and amplitudes | |

evolve | Evolves density matrices in time-domain | |

levels | Energy levels computation | |

levelsplot | Energy levels and resonances plot | |

orisel | Orientation selection | |

propint | Compute pulse propagator | |

resfields | Resonance fields and amplitudes, matrix diagonalization | |

resfields_perturb | Resonance fields and amplitudes, perturbation theory | |

resfreqs_matrix | Resonance frequencies and amplitudes, matrix diagonalization | |

resfreqs_perturb | Resonance frequencies and amplitudes, perturbation theory | |

Orientations | ||

sphgrid | Triangular orientational grids | |

sphrand | Random orientational grids | |

sphtri | Triangulation of orientational grids | |

Hamiltonians and densities | ||

eeint | Electron-electron interaction Hamiltonian | |

hfine | Hyperfine interaction Hamiltonian | |

nquad | Nuclear quadrupole interaction Hamiltonian | |

sham | Full Spin Hamiltonian | |

sigeq | Thermal equilibrium density matrix | |

symm | Symmetry determination for Spin Hamiltonians | |

zeeman | Zeeman Hamiltonian | |

zfield | Electronic zero field interaction Hamiltonian |