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Update estimations.py
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lmantill committed Mar 21, 2024
1 parent e4cbafd commit 8d1cf9f
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions radicalpy/estimations.py
Original file line number Diff line number Diff line change
Expand Up @@ -200,7 +200,7 @@ def multiexponential(x, *params):
p0=np.zeros(num_exp),
)
fit = multiexponential(ts, *acf_popt)
tau_c = sum(acf_popt * taus) # * np.var(mT_to_MHz(trajectory)) / 1e6
tau_c = sum(acf_popt * taus) # * np.var(mT_to_MHz(trajectory)) / 1e6
return {"fit": fit, "tau_c": tau_c}


Expand Down Expand Up @@ -568,7 +568,8 @@ def k_triplet_relaxation(B0: float, tau_c: float, D: float, E: float) -> float:
B0 = utils.mT_to_MHz(B0)
nu_0 = (C.g_e * (C.mu_B * 1e-3) * B0) / C.h
jnu0tc = (2 / 15) * (
(4 * tau_c) / (1 + 4 * nu_0**2 * tau_c**2) + (tau_c) / (1 + nu_0**2 * tau_c**2)
(4 * tau_c) / (1 + 4 * nu_0**2 * tau_c**2)
+ (tau_c) / (1 + nu_0**2 * tau_c**2)
)
return (D**2 + 3 * E**2) * jnu0tc

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