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Broken example: threespin-analysis #427

@HKaras

Description

@HKaras

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: 
=========== ========== ========================= ====== =========================================== 
 Parameter   Value      95%-Confidence interval   Unit   Description                                
=========== ========== ========================= ====== =========================================== 
 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               
=========== ========== ========================= ====== =========================================== 

deerlab_threespin

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