Constants

spinlab.constants.mrProperties.mr_properties(nucleus, *args)

Return magnetic resonance property of specified isotope.

This function is modeled after the Matlab function gmr written by Mirko Hrovat: https://www.mathworks.com/matlabcentral/fileexchange/12078-gmr-m-nmr-mri-properties

Also see: R.K.Harris et. al., Pure and Applied Chemistry, 2001, 73:1795-1818. Electron value comes from 1998 CODATA values, http://physics.nist.gov/cuu/Constants, or https://physics.nist.gov/cuu/Constants/index.html. Xenon gyromagnetic ratio was calculated from 27.661 MHz value from Bruker's web site.

Parameters:

  • nucleus (str) -- '0e', '1H', '2H', '6Li', '13C', '14N', etc.

  • B0 (float) -- (optional) B0 field in (mT)

  • flags (Additional) -- gamma: Return Gyromagnetic Ratio (Hz/T) spin: Return spin number of selected nucleus qmom: Return quadrupole moment [fm^2] (100 barns) natAbundance: Return natural abundance (%) relSensitivity: Return relative sensitivity with respect to 1H at constant B0 moment: Return magnetic dipole moment, abs(u)/uN = abs(gamma)*hbar[I(I + 1)]^1/2/uN qlw: Return quadrupolar line-width factor, Qlw = Q^2(2I + 3)/[I^2(2I + 1)]

Examples

sl.slTools.mr_Properties('1H') = 26.7522128 # 1H Gyromagnetic Ratio (10^7r/Ts)

sl.slTools.mr_Properties('1H', 0.35) = 14902114.17018196 # 1H Larmor Freq at .35 T (Hz)

sl.slTools.mr_Properties('2H', 'qmom') = 0.286 # Nuclear Quadrupole Moment (fm^2)

sl.slTools.mr_Properties('6Li', 'natAbundance') = 7.59 # % Natural Abundance

sl.slTools.mr_Properties('6Li', 'relSensitivity') = 0.000645 # Relative sensitivity
spinlab.constants.radicalProperties.radical_properties(name)

Return properties of different radicals. At the minimum the g value is returned. If available, large hyperfine couplings to a nucleus are returned. Add new properties or new radicals to radicalProperties.py

arg

returns

"gfree"

2.00231930436153

"tempo1"

[[2.00980, 2.00622, 2.00220], "14N", [16.8, 20.5, 95.9]]

"tempo2"

[[2.00909, 2.00621, 2.00222], "14N", [20.2, 20.2, 102.1]]

"bdpa"

[[2.00263, 2.00260, 2.00257], "1H", [50.2, 34.5, 13.0]]

"dpph_neat"

2.0036
Parameters:

name (str) -- Name of the radical

Returns:

Principle g values and hyperfine coupling tensor

Return type:

radicalProperties (dict)

Examples

Return g value of a free electron

>>> radical_properties("gfree")
spinlab.constants.radicalProperties.show_sl_properties(radical, mwFrequency, slNucleus)

Calculate Spin Properties for a given radical

Parameters:

  • radical (str) -- Radical name, see mrProperties.py for radicals that are currently implemented

  • mwFrequency (float) -- Microwave frequency in (Hz)

  • slNucleus (str) -- Nucleus for Spin-NMR experiments

Returns:

Function returns a table of Spin parameters to the screen

Examples

>>> sl.show_sl_properties('gfree', 9.45e9, '1H')