-------------Start of calculation------------- initial values of parameters H1_298 -1.861e+04 S1_298 381.5 H2_298 -8202. S2_298 173.4 H3_298 -1.053e+04 S3_298 115.0 H4_298 -3090. S4_298 202.8 value of L is -641.5 and of SS is 165.0 Process ended after 2 iterations Last ZXSSQ report ZXSSQ reports: convergence failed - the marquardt parameter exceeded parm(3) Gragient 1.118e-10 Function evaluations 98.00 Significant digits 10.00 Marquardt parameter 374.4 Number iterations 8.000 difL 2.196e-06, difv 0.01168 value of L is -641.1 and of SS is 165.0 Parameter +/- standard deviation H1_298 -1.883e+04 +- 1595. S1_298 381.5 +- 1.200 H2_298 -8377. +- 1100. S2_298 173.4 +- 0.8134 H3_298 -1.086e+04 +- 939.8 S3_298 114.8 +- 0.7078 H4_298 -2644. +- 3279. S4_298 203.5 +- 2.511 Correlation matrix - only for free parameters 1 0.9251 1 0.5526 0.4819 1 0.4722 0.5090 0.8657 1 0.2888 0.2389 0.5978 0.4765 1 0.2200 0.2400 0.4599 0.5393 0.8476 1 0.04680 0.02890 0.1163 0.06028 0.3131 0.2103 1 0.01849 0.02279 0.05045 0.06637 0.2017 0.2478 0.8432 1 Results ID eq sr sga sgb A1 eq1, # 3.824 , # 1.770, # 0.000; A2 eq2, # 3.824 , # 1.770, # 0.000; A3 eq3, # 3.824 , # 1.770, # 0.000; C1a eq1, # 3.824 , # 1.770, # 0.000; C1b eq1, # 3.824 , # 1.770, # 0.000; Ha H, * 1.000 , #2 2.128, n/a ; Hb1 H, * 1.000 , #2 2.128, n/a ; Hb2 H, * 1.000 , #2 2.128, n/a ; Hc H, * 1.000 , #2 2.128, n/a ; Hd H, * 1.000 , #2 2.128, n/a ; K1 eq1, # 3.824 , # 1.770, # 0.000; K2 eq2, # 3.824 , # 1.770, # 0.000; K3 eq3, # 3.824 , # 1.770, # 0.000; K4 eq4, # 3.824 , # 1.770, # 0.000; R4 eq4, # 3.824 0.9300, # 1.770, # 0.000; R5 eq5, # 3.824 4.100, # 1.770, # 0.000; R6 eq6, # 3.824 1.200, # 1.770, # 0.000; R7 eq7, # 3.824 2.100, # 1.770, # 0.000; Sa S, * 0.4000 , #1 2.044, n/a ; Sb S, * 0.4000 , #1 2.044, n/a ; Sc S, * 0.4000 , #1 2.044, n/a ; ID av_dev sri err_a err_b err1_b A1 15.82 6.364 -14.48 0.002243 0.2130 A2 11.53 7.059 9.057 -0.01007 -0.9980 A3 11.11 3.541 10.44 0.01298 1.380 C1a 2.516 1.457 0.2224 -0.05991 -2.040 C1b 4.089 4.047 -0.5384 0.01148 0.2187 Ha 1.002 0.000 -1.002 n/a n/a Hb1 1.018 0.000 -1.018 n/a n/a Hb2 2.268 0.000 -2.268 n/a n/a Hc 4.044 0.000 -4.044 n/a n/a Hd 2.025 0.000 -2.025 n/a n/a K1 4.851 1.104 4.723 -0.0005273 -0.06761 K2 6.343 1.518 -5.966 0.01019 1.530 K3 2.725 0.8352 -2.593 -0.0001885 -0.02319 K4 3.809 0.1476 -3.797 -0.002962 -0.2558 R4 3.631 0.8613 -3.520 -0.003765 -0.2335 R5 9.313 3.670 8.484 0.01771 1.130 R6 2.982 1.083 2.770 0.003493 0.2229 R7 6.739 1.944 -6.452 -0.0004368 -0.02709 Sa 0.4637 0.000 0.4637 n/a n/a Sb 0.3193 0.000 -0.3193 n/a n/a Sc 1.472 0.000 1.472 n/a n/a ID Ntot Ns xav Ps A1 14 14 1096. 355.3 A2 14 14 1100. 370.9 A3 7 7 1065. 281.2 C1a 18 18 1313. 144.5 C1b 20 20 1319. 85.17 Ha 1 1 0.2500 0.000 Hb1 1 1 0.5000 0.000 Hb2 1 1 0.5000 0.000 Hc 1 1 0.6667 0.000 Hd 1 1 0.8571 0.000 K1 9 9 1311. 384.7 K2 9 9 1262. 450.3 K3 9 9 1247. 369.1 K4 9 9 1206. 259.1 R4 14 14 1100. 232.1 R5 10 10 1100. 201.8 R6 10 10 1100. 201.8 R7 14 14 1100. 232.1 Sa 1 1 0.2500 0.000 Sb 1 1 0.5000 0.000 Sc 1 1 0.6667 0.000 ****** post analysis ***** CA6 0.000 CA2 -5.090 CA -4.463 C3A -4.804