machine   Linux x86_64, 4 CPUs, python 3.12.3, numpy 2.5.4
rietx     1.9.0.dev0 from /tmp/claude-0/-home-user-rietx--claude-worktrees-wp1325-parametric-series/2aa6e19e-45d4-4e07-a6cd-a92eb3e15c9e/scratchpad/snap/src/rietx/__init__.py, compiled kernels on
load      1.29 0.85 0.67 (1/5/15 min) at start; pytest processes running: 0
ramp      10 patterns, T = 300..1200 K, t = (T - 750)/450; seeds 0..19; noise seed 1000*seed + k
major     LaB6 (tests/test_sequential.py): a = 4.1566*(1 + 0.0005*(T - 300)/100), scale 0.0005, per pattern in every arm
minor     CaF2, F m -3 m, a_mid = 5.4631*(1 + r*4.5); truths over t with L = a_m*r*4.5: line a_mid + L t; curve + (L/2)(t^2 - 1); kink slope L/2 after t = 0 (750 K)
units     a in 0.0001 Å, a1 in 1e-09 Å/K, weight fraction in 1e-05; every esd as reported (Bérar-Lelann included); gaps = patterns the chain held
options   regimes W,O; truths line,curve,kink

W: weak minor phase dissolving: sharp peaks, support 30 x 0.6^k; r = 0.00025 per 100 K, step 1.366e-03 Å, L = 6.146e-03 Å
  minor scale per pattern: 3.26e-07 1.58e-07 8.16e-08 4.44e-08 2.5e-08 1.44e-08 8.45e-09 4.99e-09 2.97e-09 1.77e-09
  designed support:        30.00 18.00 10.80 6.48 3.89 2.33 1.40 0.84 0.50 0.30
  W/line
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 [5, 6, 7, 8, 9]     2.86   3.47   3.49   3.79 |                14166.3  14347.0  14347.0  15899.9 |    0.020 20.00       2.00   3.62
       1 [5, 6, 7, 8, 9]     2.50   3.22   3.26   3.39 |                15296.5  14918.0  14918.0  15915.9 |    0.020 20.00       2.00   3.49
       2 [5, 6, 7, 8, 9]     2.68   3.20   3.59   3.57 |                13051.9  12535.1  11633.1  11584.2 |   96.407 20.00       2.69   3.48
       3 [4, 5, 6, 7, 8, 9]    2.78   3.42   4.10   3.43 |                14131.4  15070.4  16176.8  16664.0 |  109.862 10.68       3.79   3.46
       4 [6, 7, 8, 9]        2.72   2.75   3.13   2.93 |                13604.8  13532.5  13532.5  14935.5 |    0.020 20.00       2.00   3.37
       5 [5, 6, 7, 8, 9]     2.73   3.20   3.14   3.44 |                12167.0  13483.6  13472.2  14850.8 |    0.020 20.00       2.00   3.51
       6 [5, 6, 7, 8, 9]     2.84   3.17   3.27   3.29 |                14561.5  14722.2  14722.3  15386.1 |    0.020 20.00       2.00   3.32
       7 [7, 9]              2.87   3.08   3.42   3.61 |                13316.1  13880.6  13880.6  15341.4 |    0.020 20.00       2.00   3.88
       8 [6, 7, 8, 9]        2.75   3.11   3.52   3.16 |                13316.1  13282.6  13484.0  12366.8 |    0.232  0.10       2.56   3.42
       9 [6, 7, 8, 9]        2.76   3.27   7.45   6.68 |                14287.1  14656.4  14657.5  14919.0 |    0.020 20.00       2.00   3.80
      10 [5, 7, 8, 9]        3.07   3.43   3.10   3.92 |                11767.0  11730.8  11730.8   8792.7 |    0.020 20.00       2.00   3.55
      11 [5, 6, 7, 8, 9]     3.09   4.32   3.28   4.17 |                13831.9  12973.1  12973.1  11463.4 |    0.020 20.00       2.00   3.55
      12 [5, 6, 7, 8, 9]     2.70   3.16   3.23   3.54 |                11260.8  12986.9  12991.9  14386.4 |    0.057  0.10       2.02   3.67
      13 [5, 6, 7, 8, 9]     2.61   3.02   3.60   3.08 |                14274.2  14373.5  14373.4  14690.6 |    0.020 20.00       2.00   3.61
      14 [5, 6, 7, 8, 9]     2.78   3.23   3.81   8.20 |                13962.4  14952.3  14952.9  15595.2 |    0.020 20.00       2.00   3.49
      15 [5, 6, 7, 8, 9]     3.20   4.41   4.77  12.72 |                14979.1  14625.9  14622.0  14814.7 |    0.020 20.00       2.00   3.43
      16 [6, 7, 8, 9]        2.90   3.15   4.51   3.74 |                 9062.9  12589.1 -48059.3  12154.3 |  182.558  5.43       6.37   3.28
      17 [5, 6, 7, 8, 9]     2.90   4.24   3.37   3.42 |                11886.4  12531.2  11773.8  11777.1 |    0.775  0.34       2.95   3.40
      18 [5, 6, 7, 8, 9]     2.72   3.21   3.01   3.50 |                15204.6  15679.9  15675.5  16745.7 |  147.343 13.34       4.16   3.73
      19 [5, 6, 7, 8, 9]     2.82   2.75   3.02   3.42 |                12475.3  12405.5  12405.5  13476.7 |    0.020 20.00       2.00   3.36
  summary W/line, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 1 15 18 20 19 20
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          107     14.23     0      n/a     14.23   0.80  0.96     nan      7.37      n/a   1.02    6.52
      line           107      3.76    93    10.07      7.40   0.84  0.95    0.96      3.55    11.15   0.87    2.86
      gp             107     11.22    93    73.13     50.54   0.82  0.97    0.97      3.91    20.52   0.92    6.02
      gp_fix         107      6.20    93    20.37     14.61   0.89  0.96    0.96      4.57    23.53   0.86    3.89
      tie            107      2.15    93     6.83      4.91   0.91  0.99    1.00      3.27     9.90   0.65    2.06
      kernel         107     13.55    93    77.30     53.64   0.86  0.94    0.91      3.70    12.73   1.76   15.65
      kernel_fix     107      3.77    93    15.08     10.65   0.84  0.98    0.97      4.53    18.43   0.76    2.68
    slope a1 in 1e-09 Å/K, truth 13657.75 (gp: its mean's slope; kernel: vars.c1)
      arm            mean     bias  scatter  mean esd  scatter/esd  rms z
      line         13330.16  -327.59  1533.34   1654.66         0.93   0.93
      gp           11384.52 -2273.23 10404.98   7464.67         1.39   0.64
      gp_fix       13292.21  -365.54  2789.95   4165.59         0.67   0.67
      tie          13763.83   106.08  1107.08   1479.39         0.75   0.73
      kernel       10713.18 -2944.57 13892.99   8690.42         1.60   0.61
      kernel_fix   14088.02   430.27  2082.96   4177.16         0.50   0.50
    minor weight fraction in 1e-05: truth from 226.45 (pattern 0) to 1.225 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain           -0.17      6.18      0.97     -0.48      3.35      1.00      0.889
      tie             -0.51      6.15      0.97      0.34      3.74      1.00      1.079
      kernel          -0.44      6.18      0.97      0.36      3.96      1.00      1.083
      kernel_fix      -0.38      6.16      0.97      0.57      3.93      1.00      1.130
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    226.453       8.78       8.80       8.78       8.78
        1    109.770       6.12       6.26       6.17       6.14
        2     56.704       5.83       5.88       5.88       5.91
        3     30.804       4.86       4.89       4.86       4.89
        4     17.343       4.21       3.88       4.25       3.99
        5      9.997       4.43       4.24       4.35       4.28
        6      5.851       4.33       4.05       4.56       4.47
        7      3.457       2.45       3.21       3.22       3.40
        8      2.054       3.80       4.15       4.40       4.12
        9      1.225       2.77       3.93       4.03       4.27
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  30.00    0    1.69    1.60    1.62    1.65    1.58    1.60    1.66   0.895   0.960
        1   400  18.00    0    2.97    1.63    1.82    2.26    1.57    1.81    2.42   0.391   0.665
        2   500  10.80    0    5.33    2.87    3.07    3.37    2.60    2.90    3.59   0.315   0.458
        3   600   6.48    0    8.78    4.39    4.70    5.18    3.93    4.34    5.24   0.264   0.365
        4   700   3.89    1   14.03    5.98    6.91    8.26    5.34    6.27    7.55   0.179   0.276
        5   800   2.33   15   18.30    7.60    9.46   12.60    6.78    7.98   10.44   0.107   0.130
        6   900   1.40   18   17.91    9.23   13.67   17.56    8.24   10.52   13.65   0.099   0.199
        7  1000   0.84   20     n/a   10.87   18.96   22.67    9.70   12.48   17.36   0.042   0.131
        8  1100   0.50   19   19.13   12.51   24.87   27.72   11.16   13.83   21.60   0.099   0.130
        9  1200   0.30   20     n/a   14.16   31.25   32.64   12.63   17.29   26.40   0.136   0.206
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300       0.26       0.14       0.16       0.20      -0.04       0.09       0.19
        1   400      -0.85      -0.19      -0.44      -0.48       0.06      -0.40      -0.57
        2   500      -0.17      -0.51      -0.08      -0.57       0.17       0.25      -0.51
        3   600      -0.42      -0.84       0.02      -0.41       0.28       0.29       0.26
        4   700       2.52      -1.17      -0.70      -0.43       0.38      -1.56       1.33
        5   800     -17.33      -1.50      -4.33      -0.81       0.49      -4.33       2.25
        6   900     -11.70      -1.82      -8.51      -1.30       0.59      -7.52       3.07
        7  1000        n/a      -2.15     -12.46      -1.76       0.70     -11.25       3.85
        8  1100      -4.06      -2.48     -16.22      -2.20       0.81     -15.78       4.52
        9  1200        n/a      -2.81     -19.78      -2.61       0.91     -21.10       5.15
    GP REML: s / median kept chain esd median 0.02 (range 0.02-183), at the 0.02 floor in 13 of 20; ell (t units, spacing 0.222) median 20 (range 0.1-20)
    fixed arms: s = 0.25 L = 1.536e-03 Å (2.76 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.53 (range 2.00-6.37); data share over the gap patterns mean 0.085, max 0.844
    kernel_fix: tr(H) mean 3.52 (range 3.28-3.88); data share over the gap patterns mean 0.146, max 0.673
    line chi2_red through the kept chain points: mean 1.17, range 0.17-9.21
    wall clock chain     :    2.50-   3.20 s
    wall clock gp        :    0.03-   0.07 s
    wall clock tie       :    2.75-   4.41 s
    wall clock kernel    :    3.01-   7.45 s
    wall clock kernel_fix:    2.93-  12.72 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

  W/curve
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 [5, 6, 7, 8, 9]     2.67   3.18   3.44   8.43 |                 3536.6   4254.6   4254.6   7321.3 |    0.020 20.00       2.00   3.56
       1 [5, 6, 7, 8, 9]     3.42   4.89   3.69   3.97 |                 4543.4   3644.8   3644.8  -2931.1 |    0.020 20.00       2.00   3.78
       2 [5, 6, 7, 8, 9]     2.74   6.86   6.76   7.70 |                 2699.1   2547.6   5470.9   5016.8 |   58.506  6.22       4.09   3.59
       3 [4, 5, 6, 7, 8, 9]    2.81   2.97   2.96   4.56 |                 1241.4   1911.7   1911.7   3035.5 |    0.020 20.00       2.00   3.00
       4 [5, 6, 7, 8, 9]     2.63   3.02   5.38   8.96 |                 5097.2   5701.4   6115.1   7245.8 |   62.237 10.73       3.16   3.45
       5 [5, 6, 7, 8, 9]     2.84   4.24   3.36   3.75 |                 2594.6   3168.5   3170.8   4119.4 |    0.020 20.00       2.00   3.08
       6 [5, 6, 7, 8, 9]     2.68   3.15   3.80   8.30 |                 5292.9   4832.0   5223.3   5385.0 |    3.359  0.82       3.48   3.13
       7 [7, 8, 9]           3.84   8.21   9.14   9.09 |                 7458.4   8166.5  15415.3  11817.9 |  104.384 13.50       4.27   3.80
       8 [6, 7, 8, 9]        3.72   5.85   9.02   8.49 |                 5094.1   4528.0    309.2   3916.8 |   58.759 10.21       3.90   3.62
       9 [6, 7, 8, 9]        2.97   6.80   8.66   9.27 |                 6520.2   5271.2  11149.3   8607.9 |   77.558  9.13       4.48   3.56
      10 [5, 6, 7, 8, 9]     2.98   7.24   7.82   7.78 |                 3976.4   5003.3   5003.3   6355.5 |    0.020 20.00       2.00   3.56
      11 [5, 6, 7, 8, 9]     2.97   6.53   6.93   8.43 |                 3906.4   4317.1   4317.8   4684.3 |    0.020 20.00       2.00   3.53
      12 [5, 6, 7, 8, 9]     2.82   6.13   6.28   7.84 |                 2541.1   2639.8   2639.8   2117.2 |    0.020 20.00       2.00   3.58
      13 [5, 6, 7, 8, 9]     2.92   7.02   8.24   6.65 |                 4338.9   4169.7  12992.2   6269.1 |   74.150 10.28       3.79   3.31
      14 [5, 6, 7, 8, 9]     3.18   7.41   8.65   8.40 |                 3151.1   2901.0   2901.0   5153.1 |    0.020 20.00       2.00   3.56
      15 [5, 6, 7, 8, 9]     3.44   7.77   8.63   9.48 |                 5592.1   6619.3   6619.4   8597.1 |    0.020 20.00       2.00   3.28
      16 [6, 7, 8, 9]        2.83   8.11  12.28  12.68 |                  137.7    758.6   1315.3   1593.0 |    1.146  0.47       3.34   3.26
      17 [5, 7, 8, 9]        3.05   5.18   6.55   8.68 |                 3967.6   3835.9   5034.4   5987.1 |   61.325 20.00       2.55   3.47
      18 [6, 7, 9]           3.23   7.81   8.90   8.88 |                 1379.7   4645.4  -3314.3  -2361.6 |    4.457  1.31       4.41   3.67
      19 [5, 6, 7, 8, 9]     2.95   3.09   5.24   7.48 |                 2173.9   1969.3   1968.5   1314.7 |    0.020 20.00       2.00   3.64
  summary W/curve, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 1 15 18 20 19 20
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          107     16.49     0      n/a     16.49   0.80  0.96     nan      7.39      n/a   1.07    6.50
      line           107     11.43    93    59.59     41.49   0.27  0.46    0.05      3.58    11.14   3.55    9.69
      gp             107     14.34    93    56.05     39.63   0.47  0.65    0.38      4.35    19.55   2.78    7.07
      gp_fix         107     13.08    93    55.29     38.90   0.45  0.81    0.66      4.62    23.42   1.79    7.45
      tie            107      9.28    93    57.95     40.10   0.25  0.45    0.03      3.39    10.22   3.66    8.66
      kernel         107     13.86    93    54.22     38.34   0.43  0.63    0.31      4.17    14.81   2.94    8.50
      kernel_fix     107     12.96    93    53.52     37.71   0.50  0.78    0.57      4.60    19.50   2.13   10.39
    minor weight fraction in 1e-05: truth from 226.45 (pattern 0) to 1.225 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain           -0.02      6.00      0.99     -0.25      3.56      1.00      0.942
      tie             -0.50      5.79      0.99     -0.14      3.44      1.00      0.968
      kernel          -0.22      5.96      0.99      0.17      3.99      1.00      1.040
      kernel_fix      -0.21      5.93      0.99      0.26      4.02      0.98      1.061
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    226.453       8.78       8.78       8.78       8.77
        1    109.697       6.07       6.11       6.08       6.06
        2     56.638       5.92       5.96       5.97       5.94
        3     30.758       4.38       4.10       4.28       4.22
        4     17.314       3.61       3.40       3.51       3.49
        5      9.981       3.70       2.99       3.70       3.24
        6      5.842       4.25       3.95       4.37       4.55
        7      3.453       2.67       2.58       2.84       2.87
        8      2.053       4.25       3.25       4.54       4.94
        9      1.225       3.69       3.80       4.72       4.53
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  30.00    0    1.69    1.60    1.63    1.65    1.59    1.63    1.66   0.921   0.960
        1   400  18.00    0    2.96    1.63    1.98    2.26    1.59    2.01    2.42   0.487   0.667
        2   500  10.80    0    5.34    2.87    3.19    3.37    2.68    3.14    3.59   0.366   0.460
        3   600   6.48    0    8.85    4.39    4.83    5.18    4.06    4.67    5.28   0.294   0.362
        4   700   3.89    1   13.70    5.99    7.11    8.26    5.53    6.63    7.71   0.229   0.289
        5   800   2.33   15   19.15    7.61   10.25   12.59    7.02    8.97   10.89   0.111   0.147
        6   900   1.40   18   19.35    9.24   14.16   17.52    8.52   11.49   14.51   0.119   0.174
        7  1000   0.84   20     n/a   10.88   18.60   22.60   10.03   14.13   18.53   0.049   0.075
        8  1100   0.50   19   19.27   12.53   23.50   27.63   11.55   17.20   22.90   0.134   0.156
        9  1200   0.30   20     n/a   14.18   28.88   32.53   13.07   21.33   27.79   0.163   0.182
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300       0.26      -0.30      -0.06      -0.01      -0.43      -0.08       0.05
        1   400      -0.31       1.94       0.96       0.78       2.09       0.89       0.44
        2   500       0.07       1.15       0.81       0.72       1.59       0.95       0.56
        3   600       1.98      -2.68      -1.16      -0.78      -1.96      -0.52      -0.12
        4   700      -1.13      -9.54      -6.33      -5.56      -8.54      -5.07      -3.72
        5   800     -14.98     -19.43     -14.82     -14.14     -18.15     -12.76     -11.05
        6   900       2.75     -32.36     -26.32     -26.27     -30.80     -23.34     -22.29
        7  1000        n/a     -48.33     -40.83     -41.74     -46.48     -36.80     -37.35
        8  1100    -125.29     -67.33     -58.37     -60.38     -65.20     -53.06     -55.86
        9  1200        n/a     -89.36     -78.95     -82.06     -86.95     -72.16     -77.43
    GP REML: s / median kept chain esd median 0.583 (range 0.02-104), at the 0.02 floor in 10 of 20; ell (t units, spacing 0.222) median 20 (range 0.474-20)
    fixed arms: s = 0.25 L = 1.536e-03 Å (2.73 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.87 (range 2.00-4.48); data share over the gap patterns mean 0.095, max 0.752
    kernel_fix: tr(H) mean 3.47 (range 3.00-3.80); data share over the gap patterns mean 0.132, max 0.715
    line chi2_red through the kept chain points: mean 1.01, range 0.16-2.81
    wall clock chain     :    2.63-   3.84 s
    wall clock gp        :    0.03-   0.14 s
    wall clock tie       :    2.97-   8.21 s
    wall clock kernel    :    2.96-  12.28 s
    wall clock kernel_fix:    3.75-  12.68 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

  W/kink
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 [5, 6, 7, 8, 9]     2.87   7.83   8.51  18.12 |                14166.3  13527.3  13527.3  12183.9 |    0.020 20.00       2.00   3.58
       1 [5, 6, 7, 8, 9]     2.66   4.89   6.05   8.48 |                15296.5  14266.7  14266.7  14693.4 |    0.020 20.00       2.00   3.45
       2 [5, 6, 7, 8, 9]     2.75   4.07   4.24   7.85 |                13051.9  13289.0  13730.3  14212.8 |   96.407 20.00       2.59   3.34
       3 [4, 5, 6, 7, 8, 9]    3.34   5.04   3.43   6.98 |                14131.4  14813.7  15988.0  16615.1 |  109.862 10.68       3.77   3.43
       4 [6, 7, 8, 9]        2.92   6.05   6.33   7.14 |                13538.4  13266.6  13266.5  14270.6 |    0.020 20.00       2.00   3.32
       5 [5, 6, 7, 8, 9]     3.13   7.01   8.42   8.07 |                12167.0  13019.8  13019.4  14257.4 |    0.020 20.00       2.00   3.50
       6 [5, 6, 7, 8, 9]     2.74   4.85   6.56   9.35 |                14561.5  14583.1  14583.1  15084.8 |    0.020 20.00       2.00   3.26
       7 [7, 9]              3.13   6.75   7.41   4.41 |                12930.0  13581.1  13581.1  14433.0 |    0.020 20.00       2.00   3.89
       8 [6, 7, 8, 9]        2.76   6.32   4.55   3.17 |                13080.9  13342.2  13570.4  12698.0 |    0.202  0.10       2.45   3.38
       9 [6, 7, 8, 9]        2.74   3.04   3.33   3.55 |                14231.5  13644.9  13645.0  11995.0 |    0.020 20.00       2.00   3.88
      10 [5, 7, 8, 9]        2.93   2.89   3.18   3.78 |                11633.6  11417.3  11417.3   8538.5 |    0.020 20.00       2.00   3.53
      11 [5, 6, 7, 8, 9]     2.58   3.02   3.55   3.64 |                13831.9  12902.9  12902.9  11104.3 |    0.020 20.00       2.00   3.55
      12 [5, 6, 7, 8, 9]     2.70   6.97   7.15   8.44 |                11260.8  11644.7  11638.9  11849.3 |    0.057  0.10       2.02   3.62
      13 [5, 6, 7, 8, 9]     2.91   6.37   7.84   8.78 |                14274.2  13837.7  13837.9  13186.6 |    0.020 20.00       2.00   3.57
      14 [5, 6, 7, 8, 9]     3.06   6.35   7.80  10.35 |                13962.4  14748.1  14748.1  15415.4 |    0.020 20.00       2.00   3.45
      15 [5, 6, 7, 8, 9]     3.09   6.89   7.15   8.50 |                14979.1  14587.4  14584.5  14542.3 |    0.020 20.00       2.00   3.42
      16 [5, 6, 7, 8, 9]     3.10   6.14   8.09  12.84 |                12858.6  12864.2  13269.6  16791.9 |    0.265  0.10       2.41   3.33
      17 [5, 6, 7, 8, 9]     2.59   4.74   3.44   3.67 |                11886.4  12971.6  12536.8  12759.7 |    0.775  0.34       2.95   3.44
      18 [6, 7, 8, 9]        2.70   3.12   4.04   3.76 |                14456.0  15217.4  17449.2  16902.2 |    0.772  0.34       3.43   3.72
      19 [5, 6, 7, 8, 9]     2.85   3.05   3.03   3.45 |                12475.3  11900.6  11900.6  11239.5 |    0.020 20.00       2.00   3.32
  summary W/kink, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 1 15 18 20 19 20
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          107      7.68     0      n/a      7.68   0.81  0.97     nan      7.40      n/a   0.81    2.38
      line           107      2.99    93    20.16     13.92   0.62  0.88    0.74      3.55    11.17   1.22    3.05
      gp             107      3.20    93    22.14     15.28   0.64  0.89    0.76      3.70    13.89   1.18    3.05
      gp_fix         107      3.67    93    23.29     16.11   0.78  0.99    1.00      4.58    23.64   0.76    2.04
      tie            107      3.21    93    20.00     13.84   0.59  0.83    0.66      3.29    10.07   1.32    3.67
      kernel         107      4.03    93    23.34     16.19   0.59  0.83    0.68      3.49    11.56   1.32    3.51
      kernel_fix     107      5.27    93    26.03     18.17   0.71  0.94    0.91      4.52    19.07   1.01    3.27
    minor weight fraction in 1e-05: truth from 226.45 (pattern 0) to 1.223 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain           -0.19      6.17      0.97     -0.40      3.43      1.00      0.908
      tie             -0.51      6.13      0.97      0.12      3.53      1.00      1.028
      kernel          -0.49      6.13      0.97      0.18      3.59      1.00      1.042
      kernel_fix      -0.42      6.15      0.98      0.37      3.67      1.00      1.086
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    226.453       8.78       8.80       8.78       8.78
        1    109.770       6.12       6.25       6.16       6.14
        2     56.704       5.83       5.91       5.92       5.91
        3     30.804       4.86       4.90       4.87       4.90
        4     17.343       4.21       3.83       3.95       3.97
        5      9.996       4.18       3.75       3.73       3.68
        6      5.847       4.36       3.94       4.09       4.26
        7      3.453       2.72       3.30       3.28       3.44
        8      2.052       3.76       3.91       3.89       3.90
        9      1.223       3.22       3.67       3.86       4.12
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  30.00    0    1.69    1.60    1.61    1.65    1.58    1.60    1.66   0.891   0.960
        1   400  18.00    0    2.97    1.63    1.77    2.26    1.57    1.77    2.43   0.366   0.665
        2   500  10.80    0    5.33    2.87    2.97    3.37    2.64    2.82    3.59   0.290   0.458
        3   600   6.48    0    8.78    4.39    4.58    5.19    3.99    4.23    5.25   0.240   0.367
        4   700   3.89    1   14.03    5.99    6.51    8.30    5.42    5.83    7.62   0.165   0.281
        5   800   2.33   15   18.90    7.61    8.67   12.67    6.88    7.57   10.67   0.074   0.139
        6   900   1.40   18   18.14    9.25   10.96   17.64    8.36    9.36   14.10   0.080   0.178
        7  1000   0.84   20     n/a   10.89   13.33   22.76    9.84   11.18   17.99   0.041   0.122
        8  1100   0.50   19   19.29   12.53   15.75   27.81   11.33   13.04   22.34   0.043   0.121
        9  1200   0.30   20     n/a   14.18   18.23   32.74   12.82   15.04   27.19   0.091   0.208
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300       0.26       0.10       0.14       0.18       0.07       0.16       0.20
        1   400      -0.85      -0.12      -0.32      -0.47      -0.12      -0.46      -0.59
        2   500      -0.17      -0.34      -0.31      -0.48      -0.31      -0.38      -0.54
        3   600      -0.42      -0.56      -0.29      -0.03      -0.49      -0.24       0.04
        4   700       2.52      -0.77      -0.18       0.44      -0.68       0.09       0.69
        5   800       4.16       2.42       3.23       3.98       2.55       3.74       4.42
        6   900      -1.13       9.03      10.08      10.69       9.19      10.82      11.36
        7  1000        n/a      15.64      16.94      17.33      15.83      17.84      18.15
        8  1100       7.27      22.25      23.79      23.95      22.48      24.90      24.88
        9  1200        n/a      28.86      30.63      30.59      29.12      32.01      31.66
    GP REML: s / median kept chain esd median 0.02 (range 0.02-110), at the 0.02 floor in 13 of 20; ell (t units, spacing 0.222) median 20 (range 0.1-20)
    fixed arms: s = 0.25 L = 1.536e-03 Å (2.76 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.28 (range 2.00-3.77); data share over the gap patterns mean 0.061, max 0.727
    kernel_fix: tr(H) mean 3.50 (range 3.26-3.89); data share over the gap patterns mean 0.142, max 0.645
    line chi2_red through the kept chain points: mean 0.75, range 0.17-1.93
    wall clock chain     :    2.58-   3.34 s
    wall clock gp        :    0.03-   0.16 s
    wall clock tie       :    2.89-   7.83 s
    wall clock kernel    :    3.03-   8.51 s
    wall clock kernel_fix:    3.17-  18.12 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

O: broad minor phase over LaB6 (lor_size 0.4 deg, held at truth), constant support 10; r = 0.0005 per 100 K, step 2.732e-03 Å, L = 1.229e-02 Å
  minor scale per pattern: 4.25e-07 4.25e-07 4.24e-07 4.23e-07 4.23e-07 4.22e-07 4.21e-07 4.21e-07 4.2e-07 4.2e-07
  designed support:        10.00 10.00 10.00 10.00 10.00 10.00 10.00 10.00 10.00 10.00
  O/line
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 []                  3.14   3.32   3.54   3.55 |                32066.0  32992.5  32999.6  32945.6 |    0.020 20.00       2.00   2.06
       1 []                  3.02   3.30   3.81   3.79 |                 9609.3  10696.2  28621.3  11507.9 |    0.956  0.69       3.66   2.07
       2 []                  3.16   3.26   3.71   3.76 |                33671.1  35578.1  34447.3  35375.7 |   17.004 20.00       2.26   2.07
       3 []                  3.25   3.23   3.60   4.35 |                15720.1  21424.8  21424.0  21355.2 |    0.020 20.00       2.00   2.07
       4 []                  3.08   3.54   3.79   3.67 |                33609.9  34821.7  34834.9  34542.1 |    0.020 20.00       2.00   2.07
       5 []                  3.25   3.28   3.72   4.14 |                58919.0  53634.2  53626.8  53391.0 |    0.020 20.00       2.00   2.06
       6 []                  3.13   3.25   3.66   3.67 |                52232.8  51557.0  51556.8  51738.6 |    0.020 20.00       2.00   2.07
       7 []                  3.31   3.74   4.09   4.06 |                24038.2  19427.8  19407.4  19328.3 |    0.020 20.00       2.00   2.07
       8 []                  3.17   3.12   3.83   3.59 |                21798.0  21987.4  21986.8  22281.3 |    0.020 20.00       2.00   2.07
       9 []                  3.24   3.60   3.81   3.70 |                42895.1  41232.1  41236.7  41227.4 |    0.020 20.00       2.00   2.07
      10 []                  3.19   3.11   3.87   3.51 |                21623.9  16104.8  16097.5  16530.7 |    0.020 20.00       2.00   2.07
      11 []                  3.20   3.57   3.84   4.10 |                 3453.1   4702.8   4762.5   4576.7 |    0.020 20.00       2.00   2.07
      12 []                  3.26   3.67   3.40   3.99 |                -4288.5  -4721.4  -4721.4  -4412.2 |    0.020 20.00       2.00   2.07
      13 []                  3.06   3.54   4.33   3.99 |                38305.2  31586.5  31586.5  31048.4 |    0.020 20.00       2.00   2.07
      14 []                  3.01   3.14   3.65   4.00 |                16001.1  16446.8  16585.2  16836.9 |    0.406  0.10       3.76   2.06
      15 []                  2.97   3.61   3.59   5.08 |                23029.2  27438.6  27435.2  27050.8 |    0.020 20.00       2.00   2.06
      16 []                  3.41   7.98   8.58   6.25 |                26197.1  28605.8  28656.0  29118.5 |    0.020 20.00       2.00   2.06
      17 []                  3.43   3.43   4.08   3.77 |                39131.5  37702.8  37252.1  37820.3 |    0.599  0.28       4.01   2.07
      18 []                  3.13   3.27   4.44   4.10 |                17470.9  24029.2  24045.3  24170.6 |    0.020 20.00       2.00   2.07
      19 []                  3.30   3.29   4.15   3.93 |                 1548.7   1398.7    445.9    974.3 |    0.236  0.87       2.15   2.06
  summary O/line, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 0 0 0 0 0 0
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          200    129.30     0      n/a    129.30   0.83  0.98     nan    173.31      n/a   0.76    2.49
      line           200     59.61     0      n/a     59.61   0.78  1.00     nan     74.76      n/a   0.78    1.79
      gp             200     60.84     0      n/a     60.84   0.79  1.00     nan     78.22      n/a   0.78    1.79
      gp_fix         200     59.59     0      n/a     59.59   0.79  1.00     nan     75.55      n/a   0.77    1.78
      tie            200     54.49     0      n/a     54.49   0.83  1.00     nan     75.39      n/a   0.70    1.79
      kernel         200     57.44     0      n/a     57.44   0.82  1.00     nan     80.35      n/a   0.71    1.79
      kernel_fix     200     54.51     0      n/a     54.51   0.83  1.00     nan     76.76      n/a   0.69    1.78
    slope a1 in 1e-09 Å/K, truth 27315.50 (gp: its mean's slope; kernel: vars.c1)
      arm            mean     bias  scatter  mean esd  scatter/esd  rms z
      line         25351.59 -1963.91 16458.01  18885.53         0.87   0.88
      gp           26048.94 -1266.56 16075.98  21904.18         0.73   0.84
      gp_fix       25373.97 -1941.53 16394.15  19545.83         0.84   0.85
      tie          25332.32 -1983.18 15467.26  19018.21         0.81   0.83
      kernel       26114.32 -1201.18 15112.50  23526.03         0.64   0.78
      kernel_fix   25370.41 -1945.09 15387.78  20165.30         0.76   0.78
    minor weight fraction in 1e-05: truth from 295.17 (pattern 0) to 291.114 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain            4.30     32.01      0.99       n/a       n/a       nan        n/a
      tie              1.45     31.82      0.99       n/a       n/a       nan        n/a
      kernel           1.66     31.88      0.99       n/a       n/a       nan        n/a
      kernel_fix       1.47     31.82      0.99       n/a       n/a       nan        n/a
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    295.170      31.52      31.90      31.86      31.91
        1    294.708      27.50      27.70      27.66      27.68
        2    294.252      37.13      37.01      37.02      37.01
        3    293.792      30.87      30.30      30.34      30.29
        4    293.359      36.51      35.47      35.50      35.48
        5    292.901      33.12      33.02      33.26      33.02
        6    292.449      29.78      29.24      29.56      29.24
        7    291.997      31.14      32.25      32.16      32.25
        8    291.581      22.88      23.50      23.57      23.49
        9    291.114      36.81      35.41      35.53      35.44
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  10.00    0  174.91  100.74  103.88  101.75  101.53  105.94  103.28   0.376   0.355
        1   400  10.00    0  176.59   85.41   87.95   85.79   86.10   89.92   86.77   0.257   0.241
        2   500  10.00    0  171.57   71.79   75.04   72.18   72.41   77.32   73.10   0.199   0.181
        3   600  10.00    0  170.08   61.06   64.75   61.90   61.61   66.89   63.09   0.165   0.139
        4   700  10.00    0  164.41   54.91   59.55   56.23   55.43   61.90   57.72   0.151   0.125
        5   800  10.00    0  178.59   54.89   59.76   56.26   55.41   62.28   57.77   0.131   0.107
        6   900  10.00    0  174.39   61.02   65.07   61.94   61.57   67.30   63.17   0.159   0.131
        7  1000  10.00    0  181.32   71.74   74.96   72.17   72.34   77.04   73.10   0.182   0.161
        8  1100  10.00    0  173.06   85.34   87.38   85.69   86.03   89.04   86.62   0.268   0.249
        9  1200  10.00    0  168.23  100.67  103.84  101.57  101.44  105.87  102.99   0.403   0.380
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300     -35.19      -5.07      -7.72      -5.34       2.27      -1.31       1.65
        1   400       8.95      -7.03      -5.78      -7.12       0.29       2.11       0.08
        2   500     -25.16      -9.00      -5.13      -8.90      -1.70       3.17      -1.50
        3   600      29.88     -10.96      -6.07     -10.73      -3.68       3.15      -3.20
        4   700      -5.15     -12.93     -13.09     -12.70      -5.66      -5.89      -5.20
        5   800     -24.37     -14.89     -17.99     -14.76      -7.64     -12.25      -7.40
        6   900     -15.83     -16.85     -24.34     -16.81      -9.63     -20.48      -9.59
        7  1000      -7.27     -18.82     -19.81     -18.82     -11.61     -12.93     -11.71
        8  1100       3.13     -20.78     -17.37     -20.82     -13.59      -9.69     -13.81
        9  1200     -46.68     -22.75     -18.89     -22.86     -15.58     -11.69     -15.97
    GP REML: s / median kept chain esd median 0.02 (range 0.02-17), at the 0.02 floor in 15 of 20; ell (t units, spacing 0.222) median 20 (range 0.1-20)
    fixed arms: s = 0.25 L = 3.073e-03 Å (0.179 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.29 (range 2.00-4.01); data share over the gap patterns mean   n/a, max   n/a
    kernel_fix: tr(H) mean 2.07 (range 2.06-2.07); data share over the gap patterns mean   n/a, max   n/a
    line chi2_red through the kept chain points: mean 0.57, range 0.16-1.10
    wall clock chain     :    2.97-   3.43 s
    wall clock gp        :    0.03-   0.07 s
    wall clock tie       :    3.11-   7.98 s
    wall clock kernel    :    3.40-   8.58 s
    wall clock kernel_fix:    3.51-   6.25 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

  O/curve
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 []                  3.21   3.47   3.97   3.99 |                35995.7  31950.4  31935.7  31868.1 |    0.020 20.00       2.00   2.06
       1 []                  3.08   3.82   4.83   3.90 |                18572.5  21755.1  24670.0  22350.6 |    0.367  0.65       2.44   2.07
       2 []                  3.14   3.25   3.70   3.60 |                32141.7  34051.4  34049.6  33913.2 |    0.020 20.00       2.00   2.07
       3 []                  3.44   3.35   3.74   4.27 |                14953.6  20670.7  19592.9  20575.8 |   25.175 18.97       2.53   2.07
       4 []                  3.20   3.19   3.68   4.25 |                42501.0  45298.9  45189.5  44866.6 |    0.093  0.24       2.09   2.07
       5 []                  3.05   3.17   3.74   3.59 |                53124.3  49144.3  49139.2  48983.4 |    0.020 20.00       2.00   2.06
       6 []                  3.19   3.23   4.46   3.88 |                48176.4  45810.7  45767.3  46182.9 |    0.020 20.00       2.00   2.07
       7 []                  3.14   3.35   4.20   3.71 |                26437.9  17408.7  17386.1  17404.9 |    0.020 20.00       2.00   2.07
       8 []                  2.98   3.30   3.50   3.58 |                20873.2  21555.1  21555.3  21853.0 |    0.020 20.00       2.00   2.07
       9 []                  3.08   3.47   3.81   3.91 |                41102.2  38738.6  38730.3  38714.7 |    0.020 20.00       2.00   2.07
      10 []                  3.07   3.65   4.17   4.30 |                22546.8  18226.8  18228.2  18597.5 |    0.020 20.00       2.00   2.07
      11 []                  3.09   3.36   3.96   6.92 |                 2495.1   5071.0   5099.2   4866.8 |    0.020 20.00       2.00   2.07
      12 []                  3.54   2.85   3.56   3.60 |                -3196.6  -4369.8  -4369.7  -4105.5 |    0.020 20.00       2.00   2.07
      13 []                  3.59   3.31   3.75   4.12 |                44361.9  36421.0  36421.0  35880.0 |    0.020 20.00       2.00   2.07
      14 []                  2.99   3.30   3.60   4.36 |                19747.9  17950.1  43005.7  18346.2 |    6.340  4.21       3.31   2.06
      15 []                  3.36   3.18   3.58   3.68 |                23153.1  25698.9  25696.4  25372.7 |    0.020 20.00       2.00   2.06
      16 []                  3.19   3.32   4.22   3.80 |                22613.3  25745.4  25826.7  26324.8 |    0.020 20.00       2.00   2.06
      17 []                  3.09   3.36   4.04   3.64 |                41966.6  39317.1  38135.1  39420.5 |    0.808  0.34       4.53   2.08
      18 []                  3.33   3.55   4.03   3.88 |                19527.0  25645.4  25664.9  25732.1 |    0.020 20.00       2.00   2.07
      19 []                  3.22   3.41   3.72   4.30 |                  325.2    998.0   1014.2    605.0 |    0.020 20.00       2.00   2.06
  summary O/curve, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 0 0 0 0 0 0
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          200    130.05     0      n/a    130.05   0.80  0.98     nan    173.60      n/a   0.76    2.39
      line           200     60.95     0      n/a     60.95   0.82  0.98     nan     74.83      n/a   0.78    2.26
      gp             200     61.58     0      n/a     61.58   0.82  0.98     nan     77.80      n/a   0.78    2.26
      gp_fix         200     60.81     0      n/a     60.81   0.82  0.98     nan     75.62      n/a   0.77    2.21
      tie            200     56.26     0      n/a     56.26   0.85  0.99     nan     75.38      n/a   0.73    2.07
      kernel         200     58.80     0      n/a     58.80   0.85  0.99     nan     79.45      n/a   0.73    2.07
      kernel_fix     200     56.10     0      n/a     56.10   0.87  0.99     nan     76.76      n/a   0.71    2.04
    minor weight fraction in 1e-05: truth from 295.17 (pattern 0) to 291.114 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain            4.37     32.61      0.99       n/a       n/a       nan        n/a
      tie              1.50     32.41      0.99       n/a       n/a       nan        n/a
      kernel           1.70     32.53      0.99       n/a       n/a       nan        n/a
      kernel_fix       1.53     32.41      0.99       n/a       n/a       nan        n/a
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    295.170      31.52      31.86      31.90      31.87
        1    294.316      27.78      27.44      27.47      27.44
        2    293.569      35.07      34.89      34.92      34.90
        3    292.915      33.99      33.48      33.45      33.48
        4    292.387      38.22      37.21      37.29      37.22
        5    291.931      33.57      34.03      34.72      34.03
        6    291.578      30.22      29.04      29.58      29.06
        7    291.321      31.14      32.66      32.43      32.66
        8    291.195      25.66      25.80      25.93      25.80
        9    291.114      36.82      35.75      35.69      35.77
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  10.00    0  174.91  100.80  104.25  101.81  101.47  105.96  103.22   0.380   0.356
        1   400  10.00    0  175.97   85.47   87.35   85.85   86.08   88.78   86.75   0.252   0.241
        2   500  10.00    0  172.78   71.86   74.26   72.25   72.41   76.00   73.11   0.191   0.179
        3   600  10.00    0  169.53   61.13   64.36   61.98   61.64   66.09   63.13   0.163   0.141
        4   700  10.00    0  165.72   54.99   58.94   56.32   55.48   60.78   57.79   0.143   0.122
        5   800  10.00    0  179.09   54.98   58.98   56.35   55.46   60.82   57.84   0.125   0.105
        6   900  10.00    0  174.60   61.11   64.48   62.03   61.59   66.20   63.21   0.152   0.130
        7  1000  10.00    0  182.14   71.82   74.23   72.25   72.33   75.88   73.09   0.173   0.161
        8  1100  10.00    0  173.01   85.42   86.96   85.76   85.97   88.20   86.56   0.263   0.251
        9  1200  10.00    0  168.23  100.74  104.17  101.64  101.36  105.82  102.89   0.404   0.381
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300     -35.19     -37.36     -30.87     -36.95     -29.54     -22.52     -28.96
        1   400       8.67     -14.03      -8.90     -13.71      -6.72      -0.65      -6.19
        2   500     -10.38       3.24       6.48       3.36      10.03      14.40      10.31
        3   600      52.14      14.44      14.36      14.32      20.71      21.38      20.62
        4   700      15.79      19.56      13.83      19.17      25.31      18.42      24.76
        5   800     -51.98      18.62       8.01      18.09      23.85       9.73      23.00
        6   900       0.97      11.60       2.99      11.24      16.32       4.10      15.65
        7  1000      19.31      -1.48      -1.75      -1.50       2.72       2.03       2.57
        8  1100      17.16     -20.64     -13.78     -20.31     -16.95      -8.99     -16.54
        9  1200     -46.68     -45.86     -36.42     -45.35     -42.69     -32.09     -41.95
    GP REML: s / median kept chain esd median 0.02 (range 0.02-25.2), at the 0.02 floor in 15 of 20; ell (t units, spacing 0.222) median 20 (range 0.242-20)
    fixed arms: s = 0.25 L = 3.073e-03 Å (0.179 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.25 (range 2.00-4.53); data share over the gap patterns mean   n/a, max   n/a
    kernel_fix: tr(H) mean 2.07 (range 2.06-2.08); data share over the gap patterns mean   n/a, max   n/a
    line chi2_red through the kept chain points: mean 0.58, range 0.21-1.08
    wall clock chain     :    2.98-   3.59 s
    wall clock gp        :    0.03-   0.06 s
    wall clock tie       :    2.85-   3.82 s
    wall clock kernel    :    3.50-   4.83 s
    wall clock kernel_fix:    3.58-   6.92 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

  O/kink
    seed gaps            chain_s  tie_s kern_s kfix_s | a1 (1e-9 Å/K): line      tie   kernel    k_fix | gp s/sig   ell tr(H) kern  k_fix
       0 []                  3.12   3.21   3.85   3.70 |                27905.5  29283.9  29309.0  29297.9 |    0.020 20.00       2.00   2.06
       1 []                  3.20   3.57   3.54   4.49 |                10200.4   9167.9  23886.8   9939.2 |    0.858  0.65       3.55   2.07
       2 []                  3.08   3.38   3.94   3.57 |                29131.2  31266.3  30966.7  31151.8 |   13.413 20.00       2.17   2.07
       3 []                  3.32   3.49   3.62   4.16 |                11390.2  16369.3  16368.6  16301.2 |    0.020 20.00       2.00   2.07
       4 []                  3.33   3.38   4.83   3.79 |                25880.9  26125.2  26137.3  25776.2 |    0.020 20.00       2.00   2.07
       5 []                  3.12   3.47   4.08   3.82 |                54647.5  47529.1  48976.1  47180.2 |    0.290  0.10       3.02   2.06
       6 []                  3.08   4.58   4.22   3.92 |                42374.0  41002.7  40981.7  41217.0 |    0.020 20.00       2.00   2.07
       7 []                  3.24   3.31   3.90   3.68 |                20253.8  15021.6  15000.8  14913.6 |    0.020 20.00       2.00   2.07
       8 []                  3.18   3.24   3.60   3.58 |                21094.0  21800.5  21800.1  22118.6 |    0.020 20.00       2.00   2.07
       9 []                  3.23   3.42   3.93   3.90 |                39755.2  37485.0  37483.1  37500.6 |    0.020 20.00       2.00   2.07
      10 []                  3.05   3.39   3.91   3.59 |                16587.5  12408.7  12404.4  12785.3 |    0.020 20.00       2.00   2.07
      11 []                  3.27   3.59   4.37   3.65 |                -3596.7  -4394.4  -4394.0  -4461.0 |    0.020 20.00       2.00   2.07
      12 []                  3.19   3.42   3.59   4.33 |               -11943.1 -11614.7 -11614.7 -11332.3 |    0.020 20.00       2.00   2.07
      13 []                  3.12   3.42   3.64   4.28 |                22287.4  17150.0   5586.3  16846.4 |   31.010 16.76       2.83   2.07
      14 []                  2.93   3.26   3.92   3.65 |                 8863.1   8622.0   8961.0   9046.1 |    0.389  0.10       3.65   2.06
      15 []                  3.06   6.83   6.88   7.50 |                19226.5  22357.3  22354.9  22004.1 |    0.020 20.00       2.00   2.06
      16 []                  3.26   6.52   6.44   3.90 |                24781.5  25633.1  25638.4  26170.0 |    0.020 20.00       2.00   2.06
      17 []                  3.18   2.79   3.52   4.04 |                37413.4  35771.8  35438.7  35939.9 |    0.661  0.28       4.26   2.07
      18 []                  3.07   5.76   6.35   6.65 |                16796.2  24279.6  24291.7  24496.9 |    0.020 20.00       2.00   2.07
      19 []                  3.25   3.71   3.93   4.61 |                -5852.5  -6170.1  -7460.3  -6532.4 |    2.183  6.48       2.13   2.06
  summary O/kink, 20 seeds
    chain gaps (held) per pattern, of 20 seeds: 0 0 0 0 0 0 0 0 0 0
    trajectory error, a in 0.0001 Å: RMSE over kept / gap / all patterns the arm gives; coverage |err| <= 1, 2 esd (all; gap); mean esd (kept; gap)
      arm         n_kept rmse_kept n_gap rmse_gap  rmse_all   cov1  cov2 cov2gap  esd_kept  esd_gap  rms_z  max|z|
      chain          200    128.97     0      n/a    128.97   0.83  0.98     nan    173.54      n/a   0.76    2.37
      line           200     60.80     0      n/a     60.80   0.77  1.00     nan     74.80      n/a   0.81    1.80
      gp             200     62.61     0      n/a     62.61   0.77  1.00     nan     79.33      n/a   0.79    1.68
      gp_fix         200     60.73     0      n/a     60.73   0.77  1.00     nan     75.59      n/a   0.80    1.78
      tie            200     57.01     0      n/a     57.01   0.79  1.00     nan     75.43      n/a   0.74    1.64
      kernel         200     60.77     0      n/a     60.77   0.78  1.00     nan     81.97      n/a   0.73    1.64
      kernel_fix     200     56.88     0      n/a     56.88   0.80  1.00     nan     76.81      n/a   0.72    1.64
    minor weight fraction in 1e-05: truth from 295.17 (pattern 0) to 290.140 (pattern 9); bias, RMSE and coverage <= 2 esd over kept / gap patterns; sum fitted / sum true over the gaps
      arm          bias_kept rmse_kept cov2_kept  bias_gap rmse_gap cov2_gap  ratio_gap
      chain            4.29     32.59      0.99       n/a       n/a       nan        n/a
      tie              1.45     32.35      0.99       n/a       n/a       nan        n/a
      kernel           1.73     32.42      0.99       n/a       n/a       nan        n/a
      kernel_fix       1.48     32.35      0.99       n/a       n/a       nan        n/a
    fraction per pattern, RMSE in 1e-05 (truth mean beside it)
        k     W_true      chain        tie     kernel kernel_fix
        0    295.170      31.52      31.87      31.85      31.89
        1    294.708      27.50      27.71      27.75      27.70
        2    294.252      37.13      37.03      36.99      37.03
        3    293.792      30.87      30.31      30.36      30.30
        4    293.359      36.51      35.45      35.44      35.46
        5    292.792      32.43      32.65      32.92      32.65
        6    292.123      30.55      29.70      30.00      29.71
        7    291.453      30.70      31.79      31.65      31.79
        8    290.821      24.80      25.22      25.38      25.21
        9    290.140      40.78      39.21      39.38      39.25
    per pattern, means over seeds: esd in 0.0001 Å (chain over the seeds it kept the pattern) and the kernels' data share h_k
        k     T      z gaps   chain    line      gp  gp_fix     tie  kernel  k_fix  h_kern  h_kfix
        0   300  10.00    0  174.91  100.72  105.02  101.74  101.59  107.65  103.34   0.388   0.354
        1   400  10.00    0  176.59   85.40   88.55   85.78   86.16   90.85   86.83   0.263   0.241
        2   500  10.00    0  171.57   71.80   75.86   72.18   72.46   78.65   73.15   0.206   0.181
        3   600  10.00    0  170.08   61.08   66.01   61.92   61.66   68.76   63.14   0.174   0.139
        4   700  10.00    0  164.41   54.95   61.12   56.28   55.47   64.08   57.77   0.162   0.125
        5   800  10.00    0  178.73   54.96   61.35   56.32   55.45   64.48   57.82   0.141   0.106
        6   900  10.00    0  174.81   61.09   66.54   62.02   61.61   69.41   63.22   0.168   0.131
        7  1000  10.00    0  182.34   71.81   76.02   72.25   72.38   78.60   73.15   0.188   0.160
        8  1100  10.00    0  174.51   85.41   88.12   85.76   86.06   90.03   86.66   0.274   0.248
        9  1200  10.00    0  167.42  100.74  104.76  101.63  101.49  107.17  103.02   0.416   0.382
    per pattern, mean error (estimate - truth) over seeds in 0.0001 Å
        k     T      chain       line         gp     gp_fix        tie     kernel kernel_fix
        0   300     -35.19       5.26       0.64       4.72      13.36       6.34      12.23
        1   400       8.95      -1.70      -0.66      -1.94       6.00       7.85       5.51
        2   500     -25.16      -8.65      -6.02      -8.55      -1.36       1.56      -1.16
        3   600      29.88     -15.61      -9.60     -15.22      -8.72       0.03      -7.96
        4   700      -5.15     -22.57     -21.50     -22.09     -16.08     -14.65     -15.17
        5   800     -17.45     -22.69     -23.86     -22.32     -16.61     -18.60     -15.92
        6   900     -11.55     -15.99     -21.93     -15.80     -10.32     -18.79     -10.02
        7  1000      -3.83      -9.29      -8.79      -9.29      -4.02      -2.96      -4.11
        8  1100      11.95      -2.59       0.85      -2.77       2.28       7.28       1.84
        9  1200     -23.04       4.12       3.94       3.77       8.58       7.96       7.84
    GP REML: s / median kept chain esd median 0.02 (range 0.02-31), at the 0.02 floor in 13 of 20; ell (t units, spacing 0.222) median 20 (range 0.1-20)
    fixed arms: s = 0.25 L = 3.073e-03 Å (0.179 x the median kept chain esd), ell = 1
    kernel: tr(H) mean 2.38 (range 2.00-4.26); data share over the gap patterns mean   n/a, max   n/a
    kernel_fix: tr(H) mean 2.07 (range 2.06-2.07); data share over the gap patterns mean   n/a, max   n/a
    line chi2_red through the kept chain points: mean 0.57, range 0.14-1.11
    wall clock chain     :    2.93-   3.33 s
    wall clock gp        :    0.03-   0.06 s
    wall clock tie       :    2.79-   6.83 s
    wall clock kernel    :    3.52-   6.88 s
    wall clock kernel_fix:    3.57-   7.50 s
    not converged: none; chain cold restarts after pattern 0: 0
    joint holds fired (tie): none
    joint holds fired (kernel): none
    joint holds fired (kernel_fix): none
    Bérar-Lelann factor: tie 1.263, kernel 1.263, kernel_fix 1.263

load      4.73 3.91 4.45 (1/5/15 min) at end; total wall clock 2135 s
