Details of MaxLik refinement
Calling alabaster 1 9 11 Calling optimiser: i var_all var_fixed constraint 1 17.43989 0.00000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 2 12.81324 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 0.97454 0.00000 0.0 0.0 1.0 0.0 0.0 0.0 0.0 7 27.36385 0.00000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 8 32.78051 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 -17.15358 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 4.94274 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 12.21084 0.00000 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 var_free: 17.43989 12.81324 0.97454 27.36385 32.78051 -17.15358 4.94274 value: 3.13222921202801 0.125000000000000 3.479856443333957E-004 f,g S 3.13222921 0.00034799 f,g F 3.13222664 0.00034799 D1, D2, P, A, A/P, sn, gs, a, d : 5.14875E-06 -2.57437E-06 2.57437E-06 2.56847E-06 9.97706E-01 1.55522E-01 -5.14875E-06 9.97712E-01 1.25000E-01 f,g G 3.13222664 0.00000150 f,g F 3.13222664 0.00000150 D1, D2, P, A, A/P, sn, gs, a, d : 1.11673E-10 -5.58366E-11 5.58366E-11 5.58456E-11 1.00016E+00 1.24370E-03 -1.11673E-10 1.00016E+00 1.55166E-01 CONVERGENCE: FRTOL TEST SATISFIED value: 3.13222664350200 nfev, nfghev: 2 2 Final value: 3.132227 After optimisation: 1 1.00000E-04 1.74532E+01 9.99900E+03 3.08676E-07 2 0.00000E+00 1.27758E+01 9.99000E+02 -3.87419E-07 3 1.00000E-04 9.74674E-01 9.99000E+02 1.42000E-06 4 0.00000E+00 2.73267E+01 9.99000E+02 2.00187E-08 5 0.00000E+00 3.29262E+01 9.99000E+02 -3.16428E-09 6 -9.99000E+02 -1.71599E+01 9.99000E+02 -7.43715E-09 7 -9.99000E+02 4.94326E+00 9.99000E+02 -5.49356E-09 nvar, nfree, nbind: 7 7 0 Final model : 3.132227 2.35E-11 3 1 Laue 17.45319 1 0.00010 9999.00000 1 1 K_over T 17.43989 0.06357 12.77584 1 0.00000 999.00000 2 2 B_frag_imp T 12.81324 0.21920 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 0.97467 1 0.00010 999.00000 6 3 K_solv T 0.97454 0.01879 27.32669 1 0.00000 999.00000 7 4 B_solv T 27.36385 3.50908 1.0 -1 1.0 1.0 0 K_solv_imp F 32.92621 1 0.00000 999.00000 8 5 B_solv_imp T 32.78051 2.80619 0.00000 -1 -999.00000 999.00000 9 B_over F 0.00000 0.00000 -17.15988 1 -999.00000 999.00000 10 6 B11_over T -17.15358 0.30109 0.00000 -1 -999.00000 999.00000 11 B12_over F 0.00000 0.00000 4.94326 1 -999.00000 999.00000 12 7 B22_over T 4.94274 0.29211 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 12.21662 -1 -999.00000 999.00000 15 B33_over F 12.21084 0.00000