Trusted, Bureaucrats
1,382
edits
Changes
shifts[ei][si][mi] = frequency_to_rad_per_s(frq=shift, B0=frq, isotope=spin.isotope)
</source>
Then $\Omega_S$ is calculated with: $\Omega_{S,i} = \delta_bar{S,i\omega} - \omega_{rf}$, where $\bar{\omega}$ is the population averaged Larmor frequency of the spin and comes from the conversion of the [[wikipedia:Chemical_shift | Chemical Shifts]] \delta_{S,i} to frequency.
<source lang="python">
Delta_omega = shifts[ei][si][mi] - offsets[ei][si][mi][oi]