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sarahshi committed Feb 26, 2024
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::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Multi-core Markov-chain Monte Carlo (mc3).
Version 3.1.2.
Copyright (c) 2015-2023 Patricio Cubillos and collaborators.
mc3 is open-source software under the MIT license (see LICENSE).
::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

Least-squares best-fitting parameters:
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]

Start MCMC chains (Sat Sep 23 10:59:42 2023)

[: ] 10.0% completed (Sat Sep 23 10:59:49 2023)
Out-of-bound Trials:
[ 0 0 0 0 4612 0 0 15 0 0 19 0 0 0
0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]

[:: ] 20.0% completed (Sat Sep 23 10:59:56 2023)
Out-of-bound Trials:
[ 0 14 1 4 12417 0 14 17 0 1744 20 0
0 0 0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]

[::: ] 30.0% completed (Sat Sep 23 11:00:03 2023)
Out-of-bound Trials:
[ 0 67 1 16 22237 0 40 17 0 4532 21 0
0 0 0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]
Gelman-Rubin statistics for free parameters:
[1.02758701 1.03006589 1.01013986 1.0302875 1.02151683 1.01362119
1.0110036 1.0053534 1.00140709 1.01411657 1.01396704 1.00354952
1.01455366 1.01528475 1.02960866 1.03066041]

[:::: ] 40.0% completed (Sat Sep 23 11:00:09 2023)
Out-of-bound Trials:
[ 0 160 1 39 33385 1 89 19 0 7679 22 0
0 0 0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]
Gelman-Rubin statistics for free parameters:
[1.00527488 1.00566509 1.00341777 1.00622378 1.00378564 1.00362925
1.00630397 1.00306528 1.00288694 1.00395637 1.00293476 1.00197907
1.00446479 1.00464186 1.00590275 1.00612135]
All parameters converged to within 1% of unity.

[::::: ] 50.0% completed (Sat Sep 23 11:00:15 2023)
Out-of-bound Trials:
[ 0 216 1 63 45334 3 144 21 0 11271 27 0
0 0 0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]
Gelman-Rubin statistics for free parameters:
[1.00268548 1.00294819 1.00238469 1.00267984 1.00061936 1.00236462
1.00208503 1.00269936 1.00242764 1.00203982 1.00139067 1.00107536
1.00141949 1.00245185 1.00298642 1.0030821 ]
All parameters converged to within 1% of unity.

[:::::: ] 60.0% completed (Sat Sep 23 11:00:21 2023)
Out-of-bound Trials:
[ 0 330 1 94 58057 4 221 22 0 14546 27 0
0 0 0 0]
Best Parameters: (chisq=367.7173)
[ 1.10404705e+00 -1.05049313e+00 9.37626605e-01 -9.34063279e-02
3.00000000e-01 1.42799222e+03 2.88533201e+01 1.09429136e-01
1.51747427e+03 3.56110411e+01 1.06864326e-01 6.58349188e-01
1.12132097e-01 4.47459448e-02 -3.10092179e-04 1.23382528e+00]
Gelman-Rubin statistics for free parameters:
[1.00292304 1.00290511 1.00184638 1.00298012 1.00115232 1.00213002
1.00133658 1.00126697 1.0007134 1.00162299 1.00170958 1.00058701
1.00171359 1.00252559 1.00296456 1.00290198]
All parameters converged to within 1% of unity.

All parameters satisfy the GR convergence threshold of 1.01, stopping
the MCMC.

MCMC Summary:
-------------
Number of evaluated samples: 604860
Number of parallel chains: 9
Average iterations per chain: 67206
Burned-in iterations per chain: 20000
Thinning factor: 5
MCMC sample size (thinned, burned): 84972
Acceptance rate: 23.83%

Parameter name best fit median 1sigma_low 1sigma_hi S/N
--------------- ----------- ----------------------------------- ---------
B_mean 1.1040e+00 1.1313e+00 -3.3272e-02 3.8583e-02 29.8
B_PC1 -1.0505e+00 -7.6971e-01 -3.5850e-01 4.0680e-01 2.7
B_PC2 9.3763e-01 9.3474e-01 -2.0511e-02 2.0134e-02 46.4
B_PC3 -9.3406e-02 -5.8661e-02 -5.5937e-02 6.0893e-02 1.6
B_PC4 3.0000e-01 2.7975e-01 -2.8528e-02 1.4793e-02 13.0
G1430_peak 1.4280e+03 1.4280e+03 -1.4333e+00 1.4682e+00 988.3
G1430_std 2.8853e+01 2.8798e+01 -1.1792e+00 1.2538e+00 23.7
G1430_amp 1.0943e-01 1.0865e-01 -4.0474e-03 4.0273e-03 27.2
G1515_peak 1.5175e+03 1.5176e+03 -1.5526e+00 1.5446e+00 987.8
G1515_std 3.5611e+01 3.5889e+01 -2.0729e+00 2.1202e+00 18.1
G1515_amp 1.0686e-01 1.0685e-01 -3.5914e-03 3.4978e-03 30.2
H1635_mean 6.5835e-01 6.5862e-01 -3.0742e-03 3.0234e-03 215.4
H1635_PC1 1.1213e-01 1.1006e-01 -1.5937e-02 1.6761e-02 6.9
H1635_PC2 4.4746e-02 4.3519e-02 -2.0578e-02 1.9659e-02 2.2
m -3.1009e-04 -2.6229e-04 -6.0538e-05 6.9422e-05 4.6
b 1.2338e+00 1.2196e+00 -2.1480e-02 1.9352e-02 58.8

Best-parameter's chi-squared: 366.4053
Best-parameter's -2*log(posterior): 367.7173
Bayesian Information Criterion: 468.6492
Reduced chi-squared: 0.6317
Standard deviation of residuals: 0.00784075

For a detailed summary with all parameter posterior statistics see
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL49_021920_30x30_H2O_a_statistics.txt

Output sampler files:
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL49_021920_30x30_H2O_a_statistics.txt
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL49_021920_30x30_H2O_a.npz
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/LOGFILES/RESULTS/AC4_OL49_021920_30x30_H2O_a.log
139 changes: 139 additions & 0 deletions docs/examples/transmission_ftir/LOGFILES/RESULTS/AC4_OL53_101220_256s_30x30_a.log
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::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Multi-core Markov-chain Monte Carlo (mc3).
Version 3.1.2.
Copyright (c) 2015-2023 Patricio Cubillos and collaborators.
mc3 is open-source software under the MIT license (see LICENSE).
::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

Least-squares best-fitting parameters:
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]

Start MCMC chains (Sat Sep 23 11:00:45 2023)

[: ] 10.0% completed (Sat Sep 23 11:00:52 2023)
Out-of-bound Trials:
[ 0 18551 0 26 0 2 0 352 4 0 82 1
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]

[:: ] 20.0% completed (Sat Sep 23 11:00:59 2023)
Out-of-bound Trials:
[ 1 23222 0 240 150 101 1322 372 14 1027 86 1
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]

[::: ] 30.0% completed (Sat Sep 23 11:01:07 2023)
Out-of-bound Trials:
[ 3 31661 0 916 755 234 3874 383 42 2559 90 2
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]
Gelman-Rubin statistics for free parameters:
[1.0331394 1.03454814 1.00977936 1.02099123 1.02667308 1.019098
1.026297 1.00112975 1.00917225 1.01897136 1.00705804 1.00581763
1.00958724 1.01509338 1.03437309 1.03342544]

[:::: ] 40.0% completed (Sat Sep 23 11:01:14 2023)
Out-of-bound Trials:
[ 10 41599 0 1677 1443 435 7029 397 80 4221 99 2
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]
Gelman-Rubin statistics for free parameters:
[1.01115427 1.01212427 1.00163074 1.01074558 1.00498583 1.0035084
1.01366423 1.00096845 1.002415 1.00462555 1.00209489 1.00082206
1.00078257 1.00207599 1.01186969 1.01226642]

[::::: ] 50.0% completed (Sat Sep 23 11:01:21 2023)
Out-of-bound Trials:
[ 11 52210 0 2587 2253 669 10543 415 114 6160 105 2
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]
Gelman-Rubin statistics for free parameters:
[1.00274988 1.00297377 1.00189966 1.00290737 1.00196551 1.0014147
1.0043706 1.00178592 1.00120418 1.00275346 1.00105156 1.00155051
1.00069121 1.00211739 1.00292017 1.00299406]
All parameters converged to within 1% of unity.

[:::::: ] 60.0% completed (Sat Sep 23 11:01:28 2023)
Out-of-bound Trials:
[ 15 63110 0 3484 3254 874 14418 431 174 8392 113 2
0 0 0 0]
Best Parameters: (chisq=49.7843)
[ 5.11735236e-01 -2.96327877e+00 2.75707715e-01 -5.06637046e-01
2.26248986e-01 1.42725865e+03 3.43512091e+01 5.02432187e-02
1.51923346e+03 3.24143045e+01 5.30599427e-02 2.99675069e-01
-5.25464614e-02 4.67980624e-02 -4.44873222e-04 7.21255305e-01]
Gelman-Rubin statistics for free parameters:
[1.00136932 1.00146962 1.00158353 1.00134223 1.00130049 1.00112265
1.00297882 1.00130396 1.00030204 1.00295048 1.00121805 1.00153511
1.00116868 1.00163784 1.0014347 1.00144199]
All parameters converged to within 1% of unity.

All parameters satisfy the GR convergence threshold of 1.01, stopping
the MCMC.

MCMC Summary:
-------------
Number of evaluated samples: 604670
Number of parallel chains: 9
Average iterations per chain: 67185
Burned-in iterations per chain: 20000
Thinning factor: 5
MCMC sample size (thinned, burned): 84934
Acceptance rate: 23.91%

Parameter name best fit median 1sigma_low 1sigma_hi S/N
--------------- ----------- ----------------------------------- ---------
B_mean 5.1174e-01 5.5602e-01 -3.3889e-02 5.3078e-02 11.7
B_PC1 -2.9633e+00 -2.5085e+00 -3.4928e-01 5.5367e-01 6.6
B_PC2 2.7571e-01 2.6984e-01 -2.1082e-02 2.0490e-02 13.4
B_PC3 -5.0664e-01 -4.4857e-01 -4.8410e-02 7.2774e-02 8.2
B_PC4 2.2625e-01 1.8934e-01 -4.6524e-02 3.8298e-02 5.3
G1430_peak 1.4273e+03 1.4271e+03 -3.0366e+00 3.1965e+00 458.0
G1430_std 3.4351e+01 3.4442e+01 -3.0058e+00 2.9100e+00 12.3
G1430_amp 5.0243e-02 4.9892e-02 -4.3164e-03 4.5145e-03 11.5
G1515_peak 1.5192e+03 1.5195e+03 -2.7836e+00 2.6822e+00 550.3
G1515_std 3.2414e+01 3.3084e+01 -2.7336e+00 3.0069e+00 11.8
G1515_amp 5.3060e-02 5.3340e-02 -3.7498e-03 3.7488e-03 14.2
H1635_mean 2.9968e-01 3.0016e-01 -3.0700e-03 3.0477e-03 96.7
H1635_PC1 -5.2546e-02 -5.5400e-02 -1.6189e-02 1.6408e-02 3.2
H1635_PC2 4.6798e-02 4.6252e-02 -1.8050e-02 1.7189e-02 2.6
m -4.4487e-04 -3.6764e-04 -5.9283e-05 9.4660e-05 5.8
b 7.2126e-01 6.9815e-01 -2.8336e-02 1.7699e-02 31.2

Best-parameter's chi-squared: 48.7939
Best-parameter's -2*log(posterior): 49.7843
Bayesian Information Criterion: 151.0377
Reduced chi-squared: 0.0841
Standard deviation of residuals: 0.00286127

For a detailed summary with all parameter posterior statistics see
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL53_101220_256s_30x30_a_statistics.txt

Output sampler files:
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL53_101220_256s_30x30_a_statistics.txt
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/NPZTXTFILES/RESULTS/AC4_OL53_101220_256s_30x30_a.npz
/Users/sarahcshi/Documents/GitHub/PyIRoGlass/docs/examples/transmission_ftir/LOGFILES/RESULTS/AC4_OL53_101220_256s_30x30_a.log
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