-------------Start of calculation------------- initial values of parameters H1_298 -3.300e+04 S1_298 370.3 * H2_298 -1.751e+04 * S2_298 176.6 H3_298 -1.415e+04 S3_298 112.4 H4_298 -6650. S4_298 200.4 value of L is -729.2 and of SS is 161.8 Process ended after 6 iterations Last ZXSSQ report ZXSSQ reports: convergence failed - the marquardt parameter exceeded parm(3) Gragient 1.411e-09 Function evaluations 47.00 Significant digits 10.00 Marquardt parameter 163.8 Number iterations 5.000 difL 4.978e-06, difv 0.03621 value of L is -690.2 and of SS is 163.0 Parameter +/- standard deviation H1_298 -2.646e+04 +- 3386. S1_298 383.3 +- 1.354 * H2_298 -1.751e+04 * S2_298 176.6 H3_298 -1.495e+04 +- 1205. S3_298 116.5 +- 0.6745 H4_298 -6598. +- 3774. S4_298 205.1 +- 2.329 Correlation matrix - only for free parameters 1 0.3822 1 -0.03891 -0.006804 1 -0.002619 -0.05353 0.1760 1 -0.003295 0.001437 0.08055 -0.02258 1 0.001488 -0.01165 -0.01386 0.2150 0.07272 1 Results ID eq sr sga sgb A1 eq1, # 3.898 , # 12.27, # 0.002478; K1 eq1, # 3.898 , # 12.27, # 0.002478; C1a eq1, # 3.898 , # 12.27, # 0.002478; C1b eq1, # 3.898 , # 12.27, # 0.002478; A2 eq2, # 3.898 , # 12.27, # 0.002478; K2 eq2, # 3.898 , # 12.27, # 0.002478; A3 eq3, # 3.898 , # 12.27, # 0.002478; K3 eq3, # 3.898 , # 12.27, # 0.002478; K4 eq4, # 3.898 , # 12.27, # 0.002478; R4 eq4, # 3.898 0.9300, # 12.27, # 0.002478; R5 eq5, # 3.898 4.100, # 12.27, # 0.002478; R6 eq6, # 3.898 1.200, # 12.27, # 0.002478; R7 eq7, # 3.898 2.100, # 12.27, # 0.002478; Sc S, * 0.4000 , #1 1.465, n/a ; Sb S, * 0.4000 , #1 1.465, n/a ; Sa S, * 0.4000 , #1 1.465, n/a ; Hd H, * 1.000 , #2 0.000, n/a ; Hc H, * 1.000 , #2 0.000, n/a ; Hb1 H, * 1.000 , #2 0.000, n/a ; Hb2 H, * 1.000 , #2 0.000, n/a ; Ha H, * 1.000 , #2 0.000, n/a ; ID av_dev sri err_a err_b err1_b A1 64.99 6.364 -64.67 -0.007487 -0.7109 K1 47.59 1.104 -47.56 -0.01026 -1.315 C1a 52.16 1.457 -52.09 -0.06964 -2.371 C1b 53.06 4.047 -52.90 0.001753 0.03338 A2 64.74 7.059 -64.29 -0.03020 -2.993 K2 82.61 1.518 -82.58 -0.009938 -1.492 A3 15.10 3.541 14.62 0.01224 1.301 K3 1.679 0.8352 1.452 -0.0009294 -0.1144 K4 3.069 0.1476 -3.057 -0.002633 -0.2274 R4 2.951 0.8613 -2.814 -0.003435 -0.2131 R5 31.86 3.670 31.59 0.02811 1.794 R6 74.75 1.083 -74.73 -0.01590 -1.015 R7 3.580 1.944 -3.004 -0.001507 -0.09348 Sc 0.4000 0.000 0.4000 n/a n/a Sb 1.159 0.000 -1.159 n/a n/a Sa 0.07554 0.000 0.07554 n/a n/a Hd 0.9347 0.000 -0.9347 n/a n/a Hc 0.9999 0.000 -0.9999 n/a n/a Hb1 1.025 0.000 1.025 n/a n/a Hb2 0.2249 0.000 -0.2249 n/a n/a Ha 0.01296 0.000 -0.01296 n/a n/a ID Ntot Ns xav Ps A1 14 14 1096. 355.3 K1 9 9 1311. 384.7 C1a 18 18 1313. 144.5 C1b 20 20 1319. 85.17 A2 14 14 1100. 370.9 K2 9 9 1262. 450.3 A3 7 7 1065. 281.2 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 Sc 1 1 0.6667 0.000 Sb 1 1 0.5000 0.000 Sa 1 1 0.2500 0.000 Hd 1 1 0.8571 0.000 Hc 1 1 0.6667 0.000 Hb1 1 1 0.5000 0.000 Hb2 1 1 0.5000 0.000 Ha 1 1 0.2500 0.000 ****** post analysis ***** CA6 0.000 CA2 -5.090 CA -4.463 C3A -4.804