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bugSomething isn't workingSomething isn't workingdocsImprovements or additions to documentationImprovements or additions to documentation
Description
The threespin analysis example does not work anymore.
I have tried to investigate it in more detail locally on my computer and I can not get a good fit.
Can someone who knows more about three spin models have a look?
Current output:
Goodness-of-fit:
========= ============= ============== ===================== =======
Dataset Noise level Reduced 𝛘2 Residual autocorr. RMSD
========= ============= ============== ===================== =======
#1 0.015 88.247 1.951 0.133
#2 0.012 87.558 1.963 0.106
#3 0.018 19.508 1.900 0.077
========= ============= ============== ===================== =======
Model parameters:
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Parameter Value 95%-Confidence interval Unit Description
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lam1_1 0.010 (0.010,0.010) Amplitude of pairwise pathway #1
reftime1 0.400 (0.400,0.400) μs Refocusing time of pairwise pathway #1
lamu_1 0.500 (0.500,0.500) Amplitude of unmodulated pairwise pathway
conc 50.001 (49.999,50.003) μM Spin concentration
rmean1 3.000 (3.000,3.000) nm Average inter-spin distance #1
rmean2 3.000 (3.000,3.000) nm Average inter-spin distance #2
rmean3 3.000 (3.000,3.000) nm Average inter-spin distance #3
chol11 0.400 (0.400,0.400) nm Cholesky factor ℓ11
chol22 0.400 (0.400,0.400) nm Cholesky factor ℓ22
chol33 0.400 (0.400,0.400) nm Cholesky factor ℓ33
chol21 0.00e+00 (frozen) nm Cholesky factor ℓ21
chol31 0.00e+00 (frozen) nm Cholesky factor ℓ31
chol32 0.00e+00 (frozen) nm Cholesky factor ℓ32
lam1_2 0.010 (0.010,0.010) Amplitude of pairwise pathway #1
lamu_2 0.500 (0.500,0.500) Amplitude of unmodulated pairwise pathway
lam1_3 0.010 (0.010,0.010) Amplitude of pairwise pathway #1
lamu_3 0.500 (0.500,0.500) Amplitude of unmodulated pairwise pathway
scale_1 0.304 (0.283,0.325) None Overall echo amplitude/scale
scale_2 0.484 (0.467,0.501) None Overall echo amplitude/scale
scale_3 0.654 (0.642,0.665) None Overall echo amplitude/scale
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bugSomething isn't workingSomething isn't workingdocsImprovements or additions to documentationImprovements or additions to documentation