Details of MaxLik refinement

Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.01339 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 2.12034 0.00000 0.0 1.0 0.0 0.0 0.0 0.0 0.0 3 1.00000 1.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6 0.97032 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 32.24543 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 20.42123 0.00000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 9 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 -18.48038 0.00000 0.0 0.0 0.0 0.0 0.0 1.0 0.0 11 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12 5.15370 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 1.0 13 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14 0.00000 0.00000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 13.32668 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.01339 2.12034 0.97032 32.24543 20.42123 -18.48038 5.15370 value: 6.77343720036865 0.125000000000000 1.84348204038639 f,g S 6.77343720 1.84348204 f,g F 6.60650181 1.84348204 D1, D2, P, A, A/P, sn, gs, a, d : 1.69081E-01 -2.42352E-03 1.66658E-01 1.66935E-01 1.00167E+00 1.64825E-01 -1.69081E-01 3.93981E+01 1.25000E-01 f,g G 6.60650181 1.75846441 f,g F 5.77788953 1.75846441 D1, D2, P, A, A/P, sn, gs, a, d : 8.16653E-01 -4.66866E-02 7.69967E-01 8.28612E-01 1.07617E+00 7.28607E-01 -8.16653E-01 4.00000E+00 5.00000E-01 f,g G 5.77788953 1.90760035 f,g F 16.14976596 1.90760035 D1, D2, P, A, A/P, sn, gs, a, d : 1.62852E+00 3.27495E+00 4.90347E+00 -1.03719E+01 -2.11521E+00 8.48246E+01 -1.62852E+00 2.50000E-01 2.00000E+00 f,g F 15.77693491 1.90760035 D1, D2, P, A, A/P, sn, gs, a, d : 1.16055E+00 6.84217E-01 1.84477E+00 -9.99905E+00 -5.42022E+00 1.09713E+00 -1.16055E+00 2.50000E-01 1.00000E+00 f,g F 4.99106927 1.90760035 D1, D2, P, A, A/P, sn, gs, a, d : 5.92243E-01 1.57134E-01 7.49376E-01 7.86820E-01 1.04997E+00 3.99004E-01 -5.92243E-01 4.00000E+00 2.74282E-01 f,g G 4.99106927 3.27315044 f,g F 16.12888110 3.27315044 D1, D2, P, A, A/P, sn, gs, a, d : 1.42176E+00 2.20005E+00 3.62181E+00 -1.11378E+01 -3.07520E+00 2.76005E+01 -1.42176E+00 2.50000E-01 1.09713E+00 f,g F 15.91255781 3.27315044 D1, D2, P, A, A/P, sn, gs, a, d : 1.12665E+00 1.10192E+00 2.22857E+00 -1.09215E+01 -4.90067E+00 1.38426E+01 -1.12665E+00 2.50000E-01 5.48565E-01 f,g F 5.01174808 3.27315044 D1, D2, P, A, A/P, sn, gs, a, d : 6.56845E-01 1.23219E-01 7.80063E-01 -2.06788E-02 -2.65091E-02 3.33721E-01 -6.56845E-01 4.84739E-01 2.74282E-01 f,g F 4.64244348 3.27315044 D1, D2, P, A, A/P, sn, gs, a, d : 3.81990E-01 3.85205E-02 4.20510E-01 3.48626E-01 8.29054E-01 1.77185E-01 -3.81990E-01 5.72457E+00 1.37141E-01 f,g G 4.64244348 1.50183938 f,g F 4.14742460 1.50183938 D1, D2, P, A, A/P, sn, gs, a, d : 5.77012E-01 -6.35034E-02 5.13509E-01 4.95019E-01 9.63993E-01 3.85632E+00 -5.77012E-01 3.51865E+00 5.48565E-01 f,g G 4.14742460 0.71013717 f,g F 3.28071052 0.71013717 D1, D2, P, A, A/P, sn, gs, a, d : 1.53424E+00 3.07622E+00 4.61046E+00 8.66714E-01 1.87989E-01 2.05952E+01 -1.53424E+00 1.14920E+00 2.19426E+00 f,g G 3.28071052 0.04244445 f,g F 3.25548080 0.04244445 D1, D2, P, A, A/P, sn, gs, a, d : 1.18488E-01 -9.39208E-02 2.45670E-02 2.52297E-02 1.02698E+00 1.69947E+02 -1.18488E-01 6.35268E-01 1.09713E+00 f,g G 3.25548080 0.02952626 f,g F**************** 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 4.85786E-02 -5.82727E-03 4.27513E-02 -2.88623E+07 -6.75121E+08 2.00887E+02 -4.85786E-02 2.50000E-01 4.38852E+00 f,g F**************** 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 4.85786E-02 -5.82727E-03 4.27513E-02 -2.88623E+07 -6.75121E+08 2.00887E+02 -4.85786E-02 2.50000E-01 2.19426E+00 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 1.36325E-02 -1.72710E-03 1.19054E-02 -2.88623E+07 -2.42431E+09 1.03800E+01 -1.36325E-02 2.50000E-01 1.09713E+00 f,g F8727357.69076014 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 1.36325E-02 -1.72710E-03 1.19054E-02 -8.72735E+06 -7.33059E+08 1.03800E+01 -1.36325E-02 2.50000E-01 5.48565E-01 OPTIMIZER: Predicting identical change: recomputing... D1, D2, P, A, A/P, sn, gs, a, d : 1.15731E-02 -2.86806E-03 8.70504E-03 -8.72735E+06 -1.00256E+09 1.03518E+01 -1.15731E-02 2.50000E-01 2.74282E-01 f,g F8731195.36291373 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 1.15731E-02 -2.86806E-03 8.70504E-03 -8.73119E+06 -1.00300E+09 1.03518E+01 -1.15731E-02 2.50000E-01 1.37141E-01 f,g F8731195.36291372 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 1.15731E-02 -2.86806E-03 8.70504E-03 -8.73119E+06 -1.00300E+09 1.03518E+01 -1.15731E-02 2.50000E-01 6.85706E-02 f,g F8316331.93141287 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 2.32975E-02 1.35232E-03 2.46498E-02 -8.31633E+06 -3.37379E+08 5.31388E+00 -2.32975E-02 2.50000E-01 3.42853E-02 f,g F 3.60279048 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 2.31330E-02 8.74740E-04 2.40078E-02 -3.47310E-01 -1.44666E+01 2.81442E+00 -2.31330E-02 2.50000E-01 1.71426E-02 f,g F 3.25002656 0.02952626 D1, D2, P, A, A/P, sn, gs, a, d : 1.16101E-02 2.18859E-04 1.18290E-02 5.45424E-03 4.61092E-01 1.40762E+00 -1.16101E-02 9.43012E-01 8.57132E-03 f,g G 3.25002656 0.02241200 f,g F 3.24491576 0.02241200 D1, D2, P, A, A/P, sn, gs, a, d : 5.92398E-03 -7.12491E-04 5.21149E-03 5.11080E-03 9.80680E-01 3.18804E+01 -5.92398E-03 3.64248E+00 3.42853E-02 f,g G 3.24491576 0.01413059 f,g F 3.23807867 0.01413059 D1, D2, P, A, A/P, sn, gs, a, d : 1.29687E-02 -6.48437E-03 6.48437E-03 6.83710E-03 1.05440E+00 4.42442E+01 -1.29687E-02 1.05753E+00 1.37141E-01 f,g G 3.23807867 0.00394116 f,g F 3.23792454 0.00394116 D1, D2, P, A, A/P, sn, gs, a, d : 2.93567E-04 -1.46784E-04 1.46784E-04 1.54122E-04 1.04999E+00 3.66117E+00 -2.93567E-04 1.05263E+00 5.48565E-01 f,g G 3.23792454 0.00040812 f,g F 3.23792330 0.00040812 D1, D2, P, A, A/P, sn, gs, a, d : 2.46097E-06 -1.23049E-06 1.23049E-06 1.24260E-06 1.00984E+00 1.19223E+00 -2.46097E-06 1.00994E+00 2.19426E+00 f,g G 3.23792330 0.00003720 f,g F 3.23792330 0.00003720 D1, D2, P, A, A/P, sn, gs, a, d : 5.96878E-10 -2.98439E-10 2.98439E-10 2.98493E-10 1.00018E+00 2.13627E-02 -5.96878E-10 1.00018E+00 2.19426E+00 CONVERGENCE: FRTOL TEST SATISFIED value: 3.23792330082792 nfev, nfghev: 25 13 Final value: 3.237923 After optimisation: 1 1.00000E-04 1.94751E+01 9.99900E+03 1.57178E-07 2 0.00000E+00 3.07145E+01 9.99000E+02 -6.40402E-08 3 1.00000E-04 1.09413E+00 9.99000E+02 -6.66564E-06 4 0.00000E+00 1.21176E+02 9.99000E+02 -6.10106E-09 5 0.00000E+00 0.00000E+00 9.99000E+02 3.65948E-05 <-] 6 -9.99000E+02 -1.88777E+01 9.99000E+02 1.37294E-10 7 -9.99000E+02 5.72842E+00 9.99000E+02 4.66264E-10 nvar, nfree, nbind: 7 6 1 Final model : 3.237923 3.66E-05 3 1 Laue 19.47507 1 0.00010 9999.00000 1 1 K_over T 17.01339 0.06808 30.71451 1 0.00000 999.00000 2 2 B_frag_imp T 2.12034 0.35408 1.00000 -1 0.00010 999.00000 3 K_rand F 1.00000 0.00000 0.00000 -1 -999.00000 999.00000 4 B_rand F 0.00000 0.00000 1.0 -1 1.0 1.0 0 K_rand_imp F 0.00000 -1 0.00000 999.00000 5 B_rand_imp F 0.00000 0.00000 1.09413 1 0.00010 999.00000 6 3 K_solv T 0.97032 0.03221 121.17591 1 0.00000 999.00000 7 4 B_solv T 32.24543 12.46611 1.0 -1 1.0 1.0 0 K_solv_imp F 0.00000 1 0.00000 999.00000 8 5 B_solv_imp T 20.42123 0.00000 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -18.87767 1 -999.00000 999.00000 10 6 B11_over T -18.48038 0.32736 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 5.72842 1 -999.00000 999.00000 12 7 B22_over T 5.15370 0.32031 0.00000 -1 -999.00000 999.00000 13 B13_over F 0.00000 0.00000 0.00000 -1 -999.00000 999.00000 14 B23_over F 0.00000 0.00000 13.14925 -1 -999.00000 999.00000 15 B33_over F 13.32668 0.00000