#Project:sample_I #Meas. type:ALPHA #Model Step 1: Prout-Tompkins n-th order,a autocat # #KINETIC PARAMETERS #log A1/s^-1: 23.36009 #E1 kJ/mol: 183.31154 #React.ord. 1: 1.48994 #Exponent a1: 0.89261 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 155.87311 #Mean of residues: 0.94377 #Max.No of cycles: 50 #Number of cycles: 14 #Correlation coefficient: 0.963626 #Rel.precision:0.001000 #t-critical(0.95;64): 1.989 #Durbin-Watson Value: 0.408 #Durbin-Watson Factor: 1.652 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 5.14628E-5 2 5.000 81.850 0.0 5.51948E-5 3 7.500 86.850 0.0 6.51295E-5 4 10.000 91.850 0.0 9.48335E-5 5 12.500 96.850 0.0 2.12166E-4 6 13.500 98.850 0.0 3.55665E-4 7 14.500 100.850 0.0 6.92568E-4 8 15.500 102.850 0.0 1.60656E-3 9 16.500 104.850 0.0 4.52811E-3 10 17.500 106.850 0.0 1.55967E-2 11 18.500 108.850 7.49379E-3 6.32677E-2 12 19.500 110.850 4.36195E-2 0.24898 13 20.500 112.850 0.26515 0.60766 14 21.500 114.850 0.53813 0.84955 15 22.500 116.850 0.85366 0.94190 16 23.500 118.850 0.96719 0.97546 17 24.500 120.850 0.99607 0.98879 18 25.500 122.850 1.00000 0.99457 19 26.500 124.850 1.00000 0.99726 20 27.500 126.850 1.00000 0.99857 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 5.63243E-5 2 2.000 90.850 0.0 6.63612E-5 3 3.000 92.850 0.0 8.30223E-5 4 4.000 94.850 0.0 1.12359E-4 5 5.000 96.850 0.0 1.68189E-4 6 6.000 98.850 0.0 2.85555E-4 7 7.000 100.850 0.0 5.64691E-4 8 8.000 102.850 0.0 1.33377E-3 9 9.000 104.850 0.0 3.83694E-3 10 10.000 106.850 1.66168E-2 1.35237E-2 11 11.000 108.850 4.44735E-2 5.64385E-2 12 12.000 110.850 0.15945 0.23178 13 13.000 112.850 0.60688 0.59269 14 14.000 114.850 0.89018 0.84469 15 15.000 116.850 0.97057 0.94061 16 16.000 118.850 0.99036 0.97509 17 17.000 120.850 1.00000 0.98867 18 18.000 122.850 1.00000 0.99453 19 19.000 124.850 1.00000 0.99725 20 20.000 126.850 1.00000 0.99857 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 5.63243E-5 2 2.000 90.850 0.0 6.63612E-5 3 3.000 92.850 0.0 8.30223E-5 4 4.000 94.850 0.0 1.12359E-4 5 5.000 96.850 0.0 1.68189E-4 6 6.000 98.850 0.0 2.85555E-4 7 7.000 100.850 0.0 5.64691E-4 8 8.000 102.850 0.0 1.33377E-3 9 9.000 104.850 1.04941E-2 3.83694E-3 10 10.000 106.850 2.74398E-2 1.35237E-2 11 11.000 108.850 6.37020E-2 5.64385E-2 12 12.000 110.850 0.36980 0.23178 13 13.000 112.850 0.74357 0.59269 14 14.000 114.850 0.95155 0.84469 15 15.000 116.850 0.98244 0.94061 16 16.000 118.850 0.99393 0.97509 17 17.000 120.850 1.00000 0.98867 18 18.000 122.850 1.00000 0.99453 19 19.000 124.850 1.00000 0.99725 20 20.000 126.850 1.00000 0.99857 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 8.70402E-5 2 2.000 98.850 0.0 1.60341E-4 3 3.000 99.850 0.0 3.12950E-4 4 4.000 100.850 0.0 6.47270E-4 5 5.000 101.850 0.0 1.41744E-3 6 6.000 102.850 8.79832E-3 3.27937E-3 7 7.000 103.850 2.68932E-2 7.98022E-3 8 8.000 104.850 4.85424E-2 2.02382E-2 9 9.000 105.850 9.23717E-2 5.23676E-2 10 10.000 106.850 0.23442 0.13158 11 11.000 107.850 0.51510 0.29168 12 12.000 108.850 0.73984 0.51301 13 13.000 109.850 0.87174 0.70850 14 14.000 110.850 0.93716 0.83391 15 15.000 111.850 0.98403 0.90430 16 16.000 112.850 0.99792 0.94303 17 17.000 113.850 1.00000 0.96488 18 18.000 114.850 1.00000 0.97767 19 19.000 115.850 1.00000 0.98542 20 20.000 116.850 1.00000 0.99028 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 6.33429E-5 2 4.000 90.850 0.0 8.73293E-5 3 6.000 92.850 0.0 1.34266E-4 4 8.000 94.850 0.0 2.36592E-4 5 10.000 96.850 0.0 4.91641E-4 6 12.000 98.850 0.0 1.23703E-3 7 14.000 100.850 0.0 3.84265E-3 8 15.000 101.850 0.0 7.34516E-3 9 16.000 102.850 0.0 1.47822E-2 10 17.000 103.850 0.0 3.10919E-2 11 18.000 104.850 1.85154E-2 6.71520E-2 12 19.000 105.850 2.33182E-2 0.14334 13 20.000 106.850 0.10476 0.28232 14 21.000 107.850 0.33174 0.47407 15 22.000 108.850 0.54490 0.65996 16 23.000 109.850 0.74310 0.79431 17 24.000 110.850 0.82838 0.87699 18 25.000 111.850 0.90223 0.92519 19 26.000 112.850 0.96351 0.95333 20 27.000 113.850 0.99688 0.97013 21 28.000 114.850 1.00000 0.98043 22 29.000 115.850 1.00000 0.98692 23 30.000 116.850 1.00000 0.99111 24 32.000 118.850 1.00000 0.99572 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 6.21063E-5 2 4.000 88.850 0.0 7.97647E-5 3 6.000 89.850 0.0 1.06348E-4 4 8.000 90.850 0.0 1.47769E-4 5 10.000 91.850 0.0 2.14798E-4 6 12.000 92.850 0.0 3.27836E-4 7 14.000 93.850 0.0 5.27102E-4 8 16.000 94.850 0.0 8.95266E-4 9 18.000 95.850 0.0 1.60962E-3 10 20.000 96.850 0.0 3.06665E-3 11 22.000 97.850 0.0 6.18819E-3 12 24.000 98.850 0.0 1.31846E-2 13 26.000 99.850 6.79355E-3 2.94095E-2 14 28.000 100.850 2.71790E-2 6.72846E-2 15 30.000 101.850 6.98028E-2 0.15085 16 32.000 102.850 0.17582 0.30527 17 34.000 103.850 0.39221 0.51100 18 36.000 104.850 0.58433 0.69687 19 38.000 105.850 0.72332 0.82213 20 40.000 106.850 0.80555 0.89558 21 42.000 107.850 0.87119 0.93720 22 44.000 108.850 0.93176 0.96110 23 46.000 109.850 0.97122 0.97523 24 48.000 110.850 0.99150 0.98385 25 50.000 111.850 1.00000 0.98925 26 52.000 112.850 1.00000 0.99272 27 54.000 113.850 1.00000 0.99500 28 56.000 114.850 1.00000 0.99653 29 58.000 115.850 1.00000 0.99756 30 60.000 116.850 1.00000 0.99827 31 62.000 117.850 1.00000 0.99877 32 64.000 118.850 1.00000 0.99912 33 66.000 119.850 1.00000 0.99936 34 68.000 120.850 1.00000 0.99954 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 6.21063E-5 2 4.000 88.850 0.0 7.97647E-5 3 6.000 89.850 0.0 1.06348E-4 4 8.000 90.850 0.0 1.47769E-4 5 10.000 91.850 0.0 2.14798E-4 6 12.000 92.850 0.0 3.27836E-4 7 14.000 93.850 0.0 5.27102E-4 8 16.000 94.850 0.0 8.95266E-4 9 18.000 95.850 0.0 1.60962E-3 10 20.000 96.850 0.0 3.06665E-3 11 22.000 97.850 6.41013E-3 6.18819E-3 12 24.000 98.850 2.08586E-2 1.31846E-2 13 26.000 99.850 4.23671E-2 2.94095E-2 14 28.000 100.850 0.11443 6.72846E-2 15 30.000 101.850 0.27332 0.15085 16 32.000 102.850 0.47001 0.30527 17 34.000 103.850 0.68627 0.51100 18 36.000 104.850 0.81768 0.69687 19 38.000 105.850 0.90327 0.82213 20 40.000 106.850 0.95187 0.89558 21 42.000 107.850 0.98085 0.93720 22 44.000 108.850 0.98641 0.96110 23 46.000 109.850 0.98964 0.97523 24 48.000 110.850 1.00000 0.98385 25 50.000 111.850 1.00000 0.98925 26 52.000 112.850 1.00000 0.99272 27 54.000 113.850 1.00000 0.99500 28 56.000 114.850 1.00000 0.99653 29 58.000 115.850 1.00000 0.99756 30 60.000 116.850 1.00000 0.99827 #End #Project:sample_I #Meas. type:ALPHA #Model Step 1: n-th order with autocatalysis by B # #KINETIC PARAMETERS #log A1/s^-1: 20.34231 #E1 kJ/mol: 183.26722 #React.ord. 1: 1.58351 #log Kcat 1: 3.08461 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 156.09709 #Mean of residues: 0.94445 #Max.No of cycles: 50 #Number of cycles: 14 #Correlation coefficient: 0.963569 #Rel.precision:0.001000 #t-critical(0.95;64): 1.989 #Durbin-Watson Value: 0.385 #Durbin-Watson Factor: 1.695 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 6.03186E-5 2 5.000 81.850 0.0 8.61426E-5 3 7.500 86.850 0.0 1.51061E-4 4 10.000 91.850 0.0 3.21386E-4 5 12.500 96.850 0.0 8.30174E-4 6 13.500 98.850 0.0 1.30634E-3 7 14.500 100.850 0.0 2.19168E-3 8 15.500 102.850 0.0 4.02689E-3 9 16.500 104.850 0.0 8.43320E-3 10 17.500 106.850 0.0 2.12435E-2 11 18.500 108.850 7.49379E-3 6.74392E-2 12 19.500 110.850 4.36195E-2 0.24473 13 20.500 112.850 0.26515 0.61046 14 21.500 114.850 0.53813 0.85086 15 22.500 116.850 0.85366 0.93928 16 23.500 118.850 0.96719 0.97221 17 24.500 120.850 0.99607 0.98611 18 25.500 122.850 1.00000 0.99262 19 26.500 124.850 1.00000 0.99591 20 27.500 126.850 1.00000 0.99766 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 9.37737E-5 2 2.000 90.850 0.0 1.58739E-4 3 3.000 92.850 0.0 2.57087E-4 4 4.000 94.850 0.0 4.10284E-4 5 5.000 96.850 0.0 6.58833E-4 6 6.000 98.850 0.0 1.08580E-3 7 7.000 100.850 0.0 1.87983E-3 8 8.000 102.850 0.0 3.52650E-3 9 9.000 104.850 0.0 7.48420E-3 10 10.000 106.850 1.66168E-2 1.90226E-2 11 11.000 108.850 4.44735E-2 6.10283E-2 12 12.000 110.850 0.15945 0.22778 13 13.000 112.850 0.60688 0.59514 14 14.000 114.850 0.89018 0.84618 15 15.000 116.850 0.97057 0.93804 16 16.000 118.850 0.99036 0.97184 17 17.000 120.850 1.00000 0.98599 18 18.000 122.850 1.00000 0.99257 19 19.000 124.850 1.00000 0.99589 20 20.000 126.850 1.00000 0.99765 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 9.37737E-5 2 2.000 90.850 0.0 1.58739E-4 3 3.000 92.850 0.0 2.57087E-4 4 4.000 94.850 0.0 4.10284E-4 5 5.000 96.850 0.0 6.58833E-4 6 6.000 98.850 0.0 1.08580E-3 7 7.000 100.850 0.0 1.87983E-3 8 8.000 102.850 0.0 3.52650E-3 9 9.000 104.850 1.04941E-2 7.48420E-3 10 10.000 106.850 2.74398E-2 1.90226E-2 11 11.000 108.850 6.37020E-2 6.10283E-2 12 12.000 110.850 0.36980 0.22778 13 13.000 112.850 0.74357 0.59514 14 14.000 114.850 0.95155 0.84618 15 15.000 116.850 0.98244 0.93804 16 16.000 118.850 0.99393 0.97184 17 17.000 120.850 1.00000 0.98599 18 18.000 122.850 1.00000 0.99257 19 19.000 124.850 1.00000 0.99589 20 20.000 126.850 1.00000 0.99765 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 2.79317E-4 2 2.000 98.850 0.0 6.26212E-4 3 3.000 99.850 0.0 1.17399E-3 4 4.000 100.850 0.0 2.08329E-3 5 5.000 101.850 0.0 3.68251E-3 6 6.000 102.850 8.79832E-3 6.68750E-3 7 7.000 103.850 2.68932E-2 1.27674E-2 8 8.000 104.850 4.85424E-2 2.60654E-2 9 9.000 105.850 9.23717E-2 5.72047E-2 10 10.000 106.850 0.23442 0.13142 11 11.000 107.850 0.51510 0.28720 12 12.000 108.850 0.73984 0.51333 13 13.000 109.850 0.87174 0.71254 14 14.000 110.850 0.93716 0.83583 15 15.000 111.850 0.98403 0.90331 16 16.000 112.850 0.99792 0.94038 17 17.000 113.850 1.00000 0.96166 18 18.000 114.850 1.00000 0.97446 19 19.000 115.850 1.00000 0.98251 20 20.000 116.850 1.00000 0.98774 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 1.39730E-4 2 4.000 90.850 0.0 2.80989E-4 3 6.000 92.850 0.0 5.13181E-4 4 8.000 94.850 0.0 9.18831E-4 5 10.000 96.850 0.0 1.69056E-3 6 12.000 98.850 0.0 3.34244E-3 7 14.000 100.850 0.0 7.49460E-3 8 15.000 101.850 0.0 1.20109E-2 9 16.000 102.850 0.0 2.03843E-2 10 17.000 103.850 0.0 3.68903E-2 11 18.000 104.850 1.85154E-2 7.11075E-2 12 19.000 105.850 2.33182E-2 0.14260 13 20.000 106.850 0.10476 0.27794 14 21.000 107.850 0.33174 0.47329 15 22.000 108.850 0.54490 0.66378 16 23.000 109.850 0.74310 0.79742 17 24.000 110.850 0.82838 0.87724 18 25.000 111.850 0.90223 0.92328 19 26.000 112.850 0.96351 0.95036 20 27.000 113.850 0.99688 0.96687 21 28.000 114.850 1.00000 0.97729 22 29.000 115.850 1.00000 0.98410 23 30.000 116.850 1.00000 0.98867 24 32.000 118.850 1.00000 0.99400 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 1.31818E-4 2 4.000 88.850 0.0 2.38657E-4 3 6.000 89.850 0.0 3.80579E-4 4 8.000 90.850 0.0 5.72948E-4 5 10.000 91.850 0.0 8.39995E-4 6 12.000 92.850 0.0 1.22129E-3 7 14.000 93.850 0.0 1.78408E-3 8 16.000 94.850 0.0 2.64757E-3 9 18.000 95.850 0.0 4.03383E-3 10 20.000 96.850 0.0 6.37897E-3 11 22.000 97.850 0.0 1.05904E-2 12 24.000 98.850 0.0 1.86702E-2 13 26.000 99.850 6.79355E-3 3.52602E-2 14 28.000 100.850 2.71790E-2 7.12698E-2 15 30.000 101.850 6.98028E-2 0.14982 16 32.000 102.850 0.17582 0.30108 17 34.000 103.850 0.39221 0.51153 18 36.000 104.850 0.58433 0.70109 19 38.000 105.850 0.72332 0.82455 20 40.000 106.850 0.80555 0.89505 21 42.000 107.850 0.87119 0.93481 22 44.000 108.850 0.93176 0.95796 23 46.000 109.850 0.97122 0.97200 24 48.000 110.850 0.99150 0.98085 25 50.000 111.850 1.00000 0.98662 26 52.000 112.850 1.00000 0.99048 27 54.000 113.850 1.00000 0.99313 28 56.000 114.850 1.00000 0.99499 29 58.000 115.850 1.00000 0.99630 30 60.000 116.850 1.00000 0.99725 31 62.000 117.850 1.00000 0.99794 32 64.000 118.850 1.00000 0.99845 33 66.000 119.850 1.00000 0.99882 34 68.000 120.850 1.00000 0.99910 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 1.31818E-4 2 4.000 88.850 0.0 2.38657E-4 3 6.000 89.850 0.0 3.80579E-4 4 8.000 90.850 0.0 5.72948E-4 5 10.000 91.850 0.0 8.39995E-4 6 12.000 92.850 0.0 1.22129E-3 7 14.000 93.850 0.0 1.78408E-3 8 16.000 94.850 0.0 2.64757E-3 9 18.000 95.850 0.0 4.03383E-3 10 20.000 96.850 0.0 6.37897E-3 11 22.000 97.850 6.41013E-3 1.05904E-2 12 24.000 98.850 2.08586E-2 1.86702E-2 13 26.000 99.850 4.23671E-2 3.52602E-2 14 28.000 100.850 0.11443 7.12698E-2 15 30.000 101.850 0.27332 0.14982 16 32.000 102.850 0.47001 0.30108 17 34.000 103.850 0.68627 0.51153 18 36.000 104.850 0.81768 0.70109 19 38.000 105.850 0.90327 0.82455 20 40.000 106.850 0.95187 0.89505 21 42.000 107.850 0.98085 0.93481 22 44.000 108.850 0.98641 0.95796 23 46.000 109.850 0.98964 0.97200 24 48.000 110.850 1.00000 0.98085 25 50.000 111.850 1.00000 0.98662 26 52.000 112.850 1.00000 0.99048 27 54.000 113.850 1.00000 0.99313 28 56.000 114.850 1.00000 0.99499 29 58.000 115.850 1.00000 0.99630 30 60.000 116.850 1.00000 0.99725 #End #Project:sample_I #Meas. type:ALPHA #Model Step 1: 1st order with autocatalysis by B # #KINETIC PARAMETERS #log A1/s^-1: 20.86651 #E1 kJ/mol: 181.57699 #log Kcat 1: 2.11622 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 172.45334 #Mean of residues: 0.99270 #Max.No of cycles: 50 #Number of cycles: 6 #Correlation coefficient: 0.959219 #Rel.precision:0.001000 #t-critical(0.95;65): 1.988 #Durbin-Watson Value: 0.531 #Durbin-Watson Factor: 1.473 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 1.08565E-4 2 5.000 81.850 0.0 2.52959E-4 3 7.500 86.850 0.0 6.06590E-4 4 10.000 91.850 0.0 1.48806E-3 5 12.500 96.850 0.0 3.84568E-3 6 13.500 98.850 0.0 5.79938E-3 7 14.500 100.850 0.0 9.01934E-3 8 15.500 102.850 0.0 1.46716E-2 9 16.500 104.850 0.0 2.54644E-2 10 17.500 106.850 0.0 4.84126E-2 11 18.500 108.850 7.49379E-3 0.10356 12 19.500 110.850 4.36195E-2 0.24729 13 20.500 112.850 0.26515 0.56326 14 21.500 114.850 0.53813 0.88793 15 22.500 116.850 0.85366 0.98891 16 23.500 118.850 0.96719 0.99955 17 24.500 120.850 0.99607 0.99999 18 25.500 122.850 1.00000 1.00000 19 26.500 124.850 1.00000 1.00000 20 27.500 126.850 1.00000 1.00000 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 2.91614E-4 2 2.000 90.850 0.0 6.41375E-4 3 3.000 92.850 0.0 1.15317E-3 4 4.000 94.850 0.0 1.91431E-3 5 5.000 96.850 0.0 3.07314E-3 6 6.000 98.850 0.0 4.89724E-3 7 7.000 100.850 0.0 7.90462E-3 8 8.000 102.850 0.0 1.31869E-2 9 9.000 104.850 0.0 2.32844E-2 10 10.000 106.850 1.66168E-2 4.48033E-2 11 11.000 108.850 4.44735E-2 9.67891E-2 12 12.000 110.850 0.15945 0.23413 13 13.000 112.850 0.60688 0.54579 14 14.000 114.850 0.89018 0.88073 15 15.000 116.850 0.97057 0.98811 16 16.000 118.850 0.99036 0.99952 17 17.000 120.850 1.00000 0.99999 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 2.91614E-4 2 2.000 90.850 0.0 6.41375E-4 3 3.000 92.850 0.0 1.15317E-3 4 4.000 94.850 0.0 1.91431E-3 5 5.000 96.850 0.0 3.07314E-3 6 6.000 98.850 0.0 4.89724E-3 7 7.000 100.850 0.0 7.90462E-3 8 8.000 102.850 0.0 1.31869E-2 9 9.000 104.850 1.04941E-2 2.32844E-2 10 10.000 106.850 2.74398E-2 4.48033E-2 11 11.000 108.850 6.37020E-2 9.67891E-2 12 12.000 110.850 0.36980 0.23413 13 13.000 112.850 0.74357 0.54579 14 14.000 114.850 0.95155 0.88073 15 15.000 116.850 0.98244 0.98811 16 16.000 118.850 0.99393 0.99952 17 17.000 120.850 1.00000 0.99999 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 1.25288E-3 2 2.000 98.850 0.0 2.90118E-3 3 3.000 99.850 0.0 5.21791E-3 4 4.000 100.850 0.0 8.57101E-3 5 5.000 101.850 0.0 1.35896E-2 6 6.000 102.850 8.79832E-3 2.13906E-2 7 7.000 103.850 2.68932E-2 3.40303E-2 8 8.000 104.850 4.85424E-2 5.54133E-2 9 9.000 105.850 9.23717E-2 9.30410E-2 10 10.000 106.850 0.23442 0.16078 11 11.000 107.850 0.51510 0.28005 12 12.000 108.850 0.73984 0.46680 13 13.000 109.850 0.87174 0.69040 14 14.000 110.850 0.93716 0.86798 15 15.000 111.850 0.98403 0.95833 16 16.000 112.850 0.99792 0.98990 17 17.000 113.850 1.00000 0.99810 18 18.000 114.850 1.00000 0.99973 19 19.000 115.850 1.00000 0.99997 20 20.000 116.850 1.00000 1.00000 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 5.40737E-4 2 4.000 90.850 0.0 1.27774E-3 3 6.000 92.850 0.0 2.41276E-3 4 8.000 94.850 0.0 4.22450E-3 5 10.000 96.850 0.0 7.26518E-3 6 12.000 98.850 0.0 1.27328E-2 7 14.000 100.850 0.0 2.35197E-2 8 15.000 101.850 0.0 3.29732E-2 9 16.000 102.850 0.0 4.74947E-2 10 17.000 103.850 0.0 7.05870E-2 11 18.000 104.850 1.85154E-2 0.10847 12 19.000 105.850 2.33182E-2 0.17174 13 20.000 106.850 0.10476 0.27587 14 21.000 107.850 0.33174 0.43378 15 22.000 108.850 0.54490 0.63170 16 23.000 109.850 0.74310 0.81335 17 24.000 110.850 0.82838 0.92771 18 25.000 111.850 0.90223 0.97820 19 26.000 112.850 0.96351 0.99480 20 27.000 113.850 0.99688 0.99903 21 28.000 114.850 1.00000 0.99986 22 29.000 115.850 1.00000 0.99999 23 30.000 116.850 1.00000 1.00000 24 32.000 118.850 1.00000 1.00000 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 4.98557E-4 2 4.000 88.850 0.0 1.06246E-3 3 6.000 89.850 0.0 1.77861E-3 4 8.000 90.850 0.0 2.69915E-3 5 10.000 91.850 0.0 3.89940E-3 6 12.000 92.850 0.0 5.49081E-3 7 14.000 93.850 0.0 7.64278E-3 8 16.000 94.850 0.0 1.06202E-2 9 18.000 95.850 0.0 1.48503E-2 10 20.000 96.850 0.0 2.10454E-2 11 22.000 97.850 0.0 3.04327E-2 12 24.000 98.850 0.0 4.51963E-2 13 26.000 99.850 6.79355E-3 6.93181E-2 14 28.000 100.850 2.71790E-2 0.11008 15 30.000 101.850 6.98028E-2 0.18019 16 32.000 102.850 0.17582 0.29789 17 34.000 103.850 0.39221 0.47519 18 36.000 104.850 0.58433 0.68536 19 38.000 105.850 0.72332 0.85788 20 40.000 106.850 0.80555 0.95179 21 42.000 107.850 0.87119 0.98739 22 44.000 108.850 0.93176 0.99743 23 46.000 109.850 0.97122 0.99960 24 48.000 110.850 0.99150 0.99995 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 31 62.000 117.850 1.00000 1.00000 32 64.000 118.850 1.00000 1.00000 33 66.000 119.850 1.00000 1.00000 34 68.000 120.850 1.00000 1.00000 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 4.98557E-4 2 4.000 88.850 0.0 1.06246E-3 3 6.000 89.850 0.0 1.77861E-3 4 8.000 90.850 0.0 2.69915E-3 5 10.000 91.850 0.0 3.89940E-3 6 12.000 92.850 0.0 5.49081E-3 7 14.000 93.850 0.0 7.64278E-3 8 16.000 94.850 0.0 1.06202E-2 9 18.000 95.850 0.0 1.48503E-2 10 20.000 96.850 0.0 2.10454E-2 11 22.000 97.850 6.41013E-3 3.04327E-2 12 24.000 98.850 2.08586E-2 4.51963E-2 13 26.000 99.850 4.23671E-2 6.93181E-2 14 28.000 100.850 0.11443 0.11008 15 30.000 101.850 0.27332 0.18019 16 32.000 102.850 0.47001 0.29789 17 34.000 103.850 0.68627 0.47519 18 36.000 104.850 0.81768 0.68536 19 38.000 105.850 0.90327 0.85788 20 40.000 106.850 0.95187 0.95179 21 42.000 107.850 0.98085 0.98739 22 44.000 108.850 0.98641 0.99743 23 46.000 109.850 0.98964 0.99960 24 48.000 110.850 1.00000 0.99995 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 #End #Project:sample_I #Meas. type:ALPHA #Model Step 1: 3-dim. Avrami-Erofeev # #KINETIC PARAMETERS #log A1/s^-1: 22.88007 #E1 kJ/mol: 186.31183 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 179.03443 #Mean of residues: 1.01146 #Max.No of cycles: 50 #Number of cycles: 8 #Correlation coefficient: 0.957612 #Rel.precision:0.001000 #t-critical(0.95;66): 1.987 #Durbin-Watson Value: 0.513 #Durbin-Watson Factor: 1.496 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 5.48969E-5 2 5.000 81.850 0.0 6.84377E-5 3 7.500 86.850 0.0 1.10193E-4 4 10.000 91.850 0.0 2.69868E-4 5 12.500 96.850 0.0 1.10003E-3 6 13.500 98.850 0.0 2.19849E-3 7 14.500 100.850 0.0 4.66028E-3 8 15.500 102.850 0.0 1.03424E-2 9 16.500 104.850 0.0 2.37005E-2 10 17.500 106.850 0.0 5.52033E-2 11 18.500 108.850 7.49379E-3 0.12785 12 19.500 110.850 4.36195E-2 0.28329 13 20.500 112.850 0.26515 0.55761 14 21.500 114.850 0.53813 0.86472 15 22.500 116.850 0.85366 0.99256 16 23.500 118.850 0.96719 0.99999 17 24.500 120.850 0.99607 1.00000 18 25.500 122.850 1.00000 1.00000 19 26.500 124.850 1.00000 1.00000 20 27.500 126.850 1.00000 1.00000 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 7.34513E-5 2 2.000 90.850 0.0 1.17428E-4 3 3.000 92.850 0.0 2.04456E-4 4 4.000 94.850 0.0 3.85853E-4 5 5.000 96.850 0.0 7.82117E-4 6 6.000 98.850 0.0 1.68272E-3 7 7.000 100.850 0.0 3.79377E-3 8 8.000 102.850 0.0 8.84989E-3 9 9.000 104.850 0.0 2.10956E-2 10 10.000 106.850 1.66168E-2 5.06770E-2 11 11.000 108.850 4.44735E-2 0.12027 12 12.000 110.850 0.15945 0.27192 13 13.000 112.850 0.60688 0.54472 14 14.000 114.850 0.89018 0.85744 15 15.000 116.850 0.97057 0.99182 16 16.000 118.850 0.99036 0.99999 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 7.34513E-5 2 2.000 90.850 0.0 1.17428E-4 3 3.000 92.850 0.0 2.04456E-4 4 4.000 94.850 0.0 3.85853E-4 5 5.000 96.850 0.0 7.82117E-4 6 6.000 98.850 0.0 1.68272E-3 7 7.000 100.850 0.0 3.79377E-3 8 8.000 102.850 0.0 8.84989E-3 9 9.000 104.850 1.04941E-2 2.10956E-2 10 10.000 106.850 2.74398E-2 5.06770E-2 11 11.000 108.850 6.37020E-2 0.12027 12 12.000 110.850 0.36980 0.27192 13 13.000 112.850 0.74357 0.54472 14 14.000 114.850 0.95155 0.85744 15 15.000 116.850 0.98244 0.99182 16 16.000 118.850 0.99393 0.99999 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 2.32499E-4 2 2.000 98.850 0.0 7.40964E-4 3 3.000 99.850 0.0 1.93292E-3 4 4.000 100.850 0.0 4.45561E-3 5 5.000 101.850 0.0 9.44311E-3 6 6.000 102.850 8.79832E-3 1.88233E-2 7 7.000 103.850 2.68932E-2 3.57659E-2 8 8.000 104.850 4.85424E-2 6.52585E-2 9 9.000 105.850 9.23717E-2 0.11464 10 10.000 106.850 0.23442 0.19346 11 11.000 107.850 0.51510 0.31139 12 12.000 108.850 0.73984 0.47163 13 13.000 109.850 0.87174 0.65959 14 14.000 110.850 0.93716 0.83491 15 15.000 111.850 0.98403 0.94940 16 16.000 112.850 0.99792 0.99258 17 17.000 113.850 1.00000 0.99967 18 18.000 114.850 1.00000 1.00000 19 19.000 115.850 1.00000 1.00000 20 20.000 116.850 1.00000 1.00000 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 1.03268E-4 2 4.000 90.850 0.0 2.28049E-4 3 6.000 92.850 0.0 5.30994E-4 4 8.000 94.850 0.0 1.28601E-3 5 10.000 96.850 0.0 3.20073E-3 6 12.000 98.850 0.0 8.10088E-3 7 14.000 100.850 0.0 2.06450E-2 8 15.000 101.850 0.0 3.29285E-2 9 16.000 102.850 0.0 5.23590E-2 10 17.000 103.850 0.0 8.27728E-2 11 18.000 104.850 1.85154E-2 0.12958 12 19.000 105.850 2.33182E-2 0.19974 13 20.000 106.850 0.10476 0.30054 14 21.000 107.850 0.33174 0.43606 15 22.000 108.850 0.54490 0.60021 16 23.000 109.850 0.74310 0.76901 17 24.000 110.850 0.82838 0.90353 18 25.000 111.850 0.90223 0.97590 19 26.000 112.850 0.96351 0.99733 20 27.000 113.850 0.99688 0.99992 21 28.000 114.850 1.00000 1.00000 22 29.000 115.850 1.00000 1.00000 23 30.000 116.850 1.00000 1.00000 24 32.000 118.850 1.00000 1.00000 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 9.76686E-5 2 4.000 88.850 0.0 1.85092E-4 3 6.000 89.850 0.0 3.42492E-4 4 8.000 90.850 0.0 6.21616E-4 5 10.000 91.850 0.0 1.11039E-3 6 12.000 92.850 0.0 1.95713E-3 7 14.000 93.850 0.0 3.41022E-3 8 16.000 94.850 0.0 5.88264E-3 9 18.000 95.850 0.0 1.00551E-2 10 20.000 96.850 0.0 1.70386E-2 11 22.000 97.850 0.0 2.86188E-2 12 24.000 98.850 0.0 4.76069E-2 13 26.000 99.850 6.79355E-3 7.82806E-2 14 28.000 100.850 2.71790E-2 0.12679 15 30.000 101.850 6.98028E-2 0.20109 16 32.000 102.850 0.17582 0.30945 17 34.000 103.850 0.39221 0.45575 18 36.000 104.850 0.58433 0.63062 19 38.000 105.850 0.72332 0.80307 20 40.000 106.850 0.80555 0.92882 21 42.000 107.850 0.87119 0.98622 22 44.000 108.850 0.93176 0.99902 23 46.000 109.850 0.97122 0.99999 24 48.000 110.850 0.99150 1.00000 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 31 62.000 117.850 1.00000 1.00000 32 64.000 118.850 1.00000 1.00000 33 66.000 119.850 1.00000 1.00000 34 68.000 120.850 1.00000 1.00000 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 9.76686E-5 2 4.000 88.850 0.0 1.85092E-4 3 6.000 89.850 0.0 3.42492E-4 4 8.000 90.850 0.0 6.21616E-4 5 10.000 91.850 0.0 1.11039E-3 6 12.000 92.850 0.0 1.95713E-3 7 14.000 93.850 0.0 3.41022E-3 8 16.000 94.850 0.0 5.88264E-3 9 18.000 95.850 0.0 1.00551E-2 10 20.000 96.850 0.0 1.70386E-2 11 22.000 97.850 6.41013E-3 2.86188E-2 12 24.000 98.850 2.08586E-2 4.76069E-2 13 26.000 99.850 4.23671E-2 7.82806E-2 14 28.000 100.850 0.11443 0.12679 15 30.000 101.850 0.27332 0.20109 16 32.000 102.850 0.47001 0.30945 17 34.000 103.850 0.68627 0.45575 18 36.000 104.850 0.81768 0.63062 19 38.000 105.850 0.90327 0.80307 20 40.000 106.850 0.95187 0.92882 21 42.000 107.850 0.98085 0.98622 22 44.000 108.850 0.98641 0.99902 23 46.000 109.850 0.98964 0.99999 24 48.000 110.850 1.00000 1.00000 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 #End #Project:sample_I #Meas. type:ALPHA #Model Step 1: n-dim. Avrami-Erofeev # #KINETIC PARAMETERS #log A1/s^-1: 22.37849 #E1 kJ/mol: 182.71520 #Dimension 1: 3.40998 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 176.38499 #Mean of residues: 1.00395 #Max.No of cycles: 50 #Number of cycles: 12 #Correlation coefficient: 0.958223 #Rel.precision:0.001000 #t-critical(0.95;65): 1.988 #Durbin-Watson Value: 0.564 #Durbin-Watson Factor: 1.436 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 5.40763E-5 2 5.000 81.850 0.0 6.50126E-5 3 7.500 86.850 0.0 9.73030E-5 4 10.000 91.850 0.0 2.13965E-4 5 12.500 96.850 0.0 7.95818E-4 6 13.500 98.850 0.0 1.56660E-3 7 14.500 100.850 0.0 3.32797E-3 8 15.500 102.850 0.0 7.53720E-3 9 16.500 104.850 0.0 1.79388E-2 10 17.500 106.850 0.0 4.41018E-2 11 18.500 108.850 7.49379E-3 0.10932 12 19.500 110.850 4.36195E-2 0.26164 13 20.500 112.850 0.26515 0.55301 14 21.500 114.850 0.53813 0.88389 15 22.500 116.850 0.85366 0.99690 16 23.500 118.850 0.96719 1.00000 17 24.500 120.850 0.99607 1.00000 18 25.500 122.850 1.00000 1.00000 19 26.500 124.850 1.00000 1.00000 20 27.500 126.850 1.00000 1.00000 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 6.83559E-5 2 2.000 90.850 0.0 1.01359E-4 3 3.000 92.850 0.0 1.64218E-4 4 4.000 94.850 0.0 2.91403E-4 5 5.000 96.850 0.0 5.64694E-4 6 6.000 98.850 0.0 1.18573E-3 7 7.000 100.850 0.0 2.66743E-3 8 8.000 102.850 0.0 6.34354E-3 9 9.000 104.850 0.0 1.57195E-2 10 10.000 106.850 1.66168E-2 3.99340E-2 11 11.000 108.850 4.44735E-2 0.10168 12 12.000 110.850 0.15945 0.24899 13 13.000 112.850 0.60688 0.53753 14 14.000 114.850 0.89018 0.87566 15 15.000 116.850 0.97057 0.99644 16 16.000 118.850 0.99036 1.00000 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 6.83559E-5 2 2.000 90.850 0.0 1.01359E-4 3 3.000 92.850 0.0 1.64218E-4 4 4.000 94.850 0.0 2.91403E-4 5 5.000 96.850 0.0 5.64694E-4 6 6.000 98.850 0.0 1.18573E-3 7 7.000 100.850 0.0 2.66743E-3 8 8.000 102.850 0.0 6.34354E-3 9 9.000 104.850 1.04941E-2 1.57195E-2 10 10.000 106.850 2.74398E-2 3.99340E-2 11 11.000 108.850 6.37020E-2 0.10168 12 12.000 110.850 0.36980 0.24899 13 13.000 112.850 0.74357 0.53753 14 14.000 114.850 0.95155 0.87566 15 15.000 116.850 0.98244 0.99644 16 16.000 118.850 0.99393 1.00000 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 1.79874E-4 2 2.000 98.850 0.0 5.22453E-4 3 3.000 99.850 0.0 1.32788E-3 4 4.000 100.850 0.0 3.08178E-3 5 5.000 101.850 0.0 6.69641E-3 6 6.000 102.850 8.79832E-3 1.38360E-2 7 7.000 103.850 2.68932E-2 2.74451E-2 8 8.000 104.850 4.85424E-2 5.25309E-2 9 9.000 105.850 9.23717E-2 9.71148E-2 10 10.000 106.850 0.23442 0.17275 11 11.000 107.850 0.51510 0.29275 12 12.000 108.850 0.73984 0.46416 13 13.000 109.850 0.87174 0.67067 14 14.000 110.850 0.93716 0.85875 15 15.000 111.850 0.98403 0.96724 16 16.000 112.850 0.99792 0.99733 17 17.000 113.850 1.00000 0.99996 18 18.000 114.850 1.00000 1.00000 19 19.000 115.850 1.00000 1.00000 20 20.000 116.850 1.00000 1.00000 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 9.10135E-5 2 4.000 90.850 0.0 1.81924E-4 3 6.000 92.850 0.0 3.95836E-4 4 8.000 94.850 0.0 9.25747E-4 5 10.000 96.850 0.0 2.29401E-3 6 12.000 98.850 0.0 5.93638E-3 7 14.000 100.850 0.0 1.58143E-2 8 15.000 101.850 0.0 2.59692E-2 9 16.000 102.850 0.0 4.26839E-2 10 17.000 103.850 0.0 6.99927E-2 11 18.000 104.850 1.85154E-2 0.11398 12 19.000 105.850 2.33182E-2 0.18305 13 20.000 106.850 0.10476 0.28694 14 21.000 107.850 0.33174 0.43223 15 22.000 108.850 0.54490 0.61231 16 23.000 109.850 0.74310 0.79522 17 24.000 110.850 0.82838 0.92952 18 25.000 111.850 0.90223 0.98812 19 26.000 112.850 0.96351 0.99939 20 27.000 113.850 0.99688 1.00000 21 28.000 114.850 1.00000 1.00000 22 29.000 115.850 1.00000 1.00000 23 30.000 116.850 1.00000 1.00000 24 32.000 118.850 1.00000 1.00000 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 8.68776E-5 2 4.000 88.850 0.0 1.51441E-4 3 6.000 89.850 0.0 2.64618E-4 4 8.000 90.850 0.0 4.63093E-4 5 10.000 91.850 0.0 8.11084E-4 6 12.000 92.850 0.0 1.42078E-3 7 14.000 93.850 0.0 2.48765E-3 8 16.000 94.850 0.0 4.35102E-3 9 18.000 95.850 0.0 7.59717E-3 10 20.000 96.850 0.0 1.32317E-2 11 22.000 97.850 0.0 2.29613E-2 12 24.000 98.850 0.0 3.96312E-2 13 26.000 99.850 6.79355E-3 6.78486E-2 14 28.000 100.850 2.71790E-2 0.11470 15 30.000 101.850 6.98028E-2 0.19004 16 32.000 102.850 0.17582 0.30499 17 34.000 103.850 0.39221 0.46557 18 36.000 104.850 0.58433 0.65919 19 38.000 105.850 0.72332 0.84194 20 40.000 106.850 0.80555 0.95731 21 42.000 107.850 0.87119 0.99538 22 44.000 108.850 0.93176 0.99989 23 46.000 109.850 0.97122 1.00000 24 48.000 110.850 0.99150 1.00000 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 31 62.000 117.850 1.00000 1.00000 32 64.000 118.850 1.00000 1.00000 33 66.000 119.850 1.00000 1.00000 34 68.000 120.850 1.00000 1.00000 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 8.68776E-5 2 4.000 88.850 0.0 1.51441E-4 3 6.000 89.850 0.0 2.64618E-4 4 8.000 90.850 0.0 4.63093E-4 5 10.000 91.850 0.0 8.11084E-4 6 12.000 92.850 0.0 1.42078E-3 7 14.000 93.850 0.0 2.48765E-3 8 16.000 94.850 0.0 4.35102E-3 9 18.000 95.850 0.0 7.59717E-3 10 20.000 96.850 0.0 1.32317E-2 11 22.000 97.850 6.41013E-3 2.29613E-2 12 24.000 98.850 2.08586E-2 3.96312E-2 13 26.000 99.850 4.23671E-2 6.78486E-2 14 28.000 100.850 0.11443 0.11470 15 30.000 101.850 0.27332 0.19004 16 32.000 102.850 0.47001 0.30499 17 34.000 103.850 0.68627 0.46557 18 36.000 104.850 0.81768 0.65919 19 38.000 105.850 0.90327 0.84194 20 40.000 106.850 0.95187 0.95731 21 42.000 107.850 0.98085 0.99538 22 44.000 108.850 0.98641 0.99989 23 46.000 109.850 0.98964 1.00000 24 48.000 110.850 1.00000 1.00000 25 50.000 111.850 1.00000 1.00000 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 #End #Project:sample_I #Meas. type:ALPHA #Model Step 1: 2-dim. Avrami-Erofeev # #KINETIC PARAMETERS #log A1/s^-1: 25.60599 #E1 kJ/mol: 206.04050 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 #Alpha 5/%: 1.00000 #Alpha 6/%: 1.00000 #Alpha 7/%: 1.00000 # #STATISTICS #Least Squares: 231.58927 #Mean of residues: 1.15038 #Max.No of cycles: 50 #Number of cycles: 8 #Correlation coefficient: 0.944223 #Rel.precision:0.001000 #t-critical(0.95;66): 1.987 #Durbin-Watson Value: 0.412 #Durbin-Watson Factor: 1.644 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.52 64 s: Bna 1 1.00 1.52 64 s: Cn B 2 1.09 1.51 65 s: C1 B 3 1.11 1.51 66 s: A3 4 1.11 1.51 65 s: An 5 1.44 1.51 66 s: A2 6 1.59 1.51 66 s: B1 7 2.17 1.51 65 s: Fn 8 2.50 1.51 66 s: R2 9 2.65 1.51 66 s: R3 10 2.96 1.51 66 s: F1 11 3.82 1.51 66 s: D1 12 3.86 1.51 66 s: F2 13 3.91 1.51 66 s: D1F 14 4.12 1.51 66 s: D2 15 4.23 1.51 66 s: D4 16 4.31 1.51 66 s: D3F 17 4.42 1.51 66 s: D3 # #SCAN: 1 sample_I_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 71.850 0.0 5.00083E-5 1 2.500 76.850 0.0 6.00154E-5 2 5.000 81.850 0.0 9.21515E-5 3 7.500 86.850 0.0 2.11431E-4 4 10.000 91.850 0.0 7.48916E-4 5 12.500 96.850 0.0 3.57333E-3 6 13.500 98.850 0.0 6.97616E-3 7 14.500 100.850 0.0 1.37744E-2 8 15.500 102.850 0.0 2.72993E-2 9 16.500 104.850 0.0 5.38906E-2 10 17.500 106.850 0.0 0.10494 11 18.500 108.850 7.49379E-3 0.19859 12 19.500 110.850 4.36195E-2 0.35625 13 20.500 112.850 0.26515 0.58201 14 21.500 114.850 0.53813 0.82066 15 22.500 116.850 0.85366 0.96548 16 23.500 118.850 0.96719 0.99858 17 24.500 120.850 0.99607 1.00000 18 25.500 122.850 1.00000 1.00000 19 26.500 124.850 1.00000 1.00000 20 27.500 126.850 1.00000 1.00000 # #SCAN: 2 sample_I_cycle6_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 1.17092E-4 2 2.000 90.850 0.0 2.65445E-4 3 3.000 92.850 0.0 5.87762E-4 4 4.000 94.850 0.0 1.27802E-3 5 5.000 96.850 0.0 2.73789E-3 6 6.000 98.850 0.0 5.78954E-3 7 7.000 100.850 0.0 1.20927E-2 8 8.000 102.850 0.0 2.49330E-2 9 9.000 104.850 0.0 5.06108E-2 10 10.000 106.850 1.66168E-2 0.10053 11 11.000 108.850 4.44735E-2 0.19298 12 12.000 110.850 0.15945 0.34988 13 13.000 112.850 0.60688 0.57616 14 14.000 114.850 0.89018 0.81712 15 15.000 116.850 0.97057 0.96453 16 16.000 118.850 0.99036 0.99852 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 3 sample_I_cycle7_2Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 1.000 88.850 0.0 1.17092E-4 2 2.000 90.850 0.0 2.65445E-4 3 3.000 92.850 0.0 5.87762E-4 4 4.000 94.850 0.0 1.27802E-3 5 5.000 96.850 0.0 2.73789E-3 6 6.000 98.850 0.0 5.78954E-3 7 7.000 100.850 0.0 1.20927E-2 8 8.000 102.850 0.0 2.49330E-2 9 9.000 104.850 1.04941E-2 5.06108E-2 10 10.000 106.850 2.74398E-2 0.10053 11 11.000 108.850 6.37020E-2 0.19298 12 12.000 110.850 0.36980 0.34988 13 13.000 112.850 0.74357 0.57616 14 14.000 114.850 0.95155 0.81712 15 15.000 116.850 0.98244 0.96453 16 16.000 118.850 0.99393 0.99852 17 17.000 120.850 1.00000 1.00000 18 18.000 122.850 1.00000 1.00000 19 19.000 124.850 1.00000 1.00000 20 20.000 126.850 1.00000 1.00000 # #SCAN: 4 sample_I_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 96.850 0.0 5.00083E-5 1 1.000 97.850 0.0 8.27398E-4 2 2.000 98.850 0.0 2.99300E-3 3 3.000 99.850 0.0 7.33845E-3 4 4.000 100.850 0.0 1.50038E-2 5 5.000 101.850 0.0 2.75949E-2 6 6.000 102.850 8.79832E-3 4.73100E-2 7 7.000 103.850 2.68932E-2 7.70422E-2 8 8.000 104.850 4.85424E-2 0.12038 9 9.000 105.850 9.23717E-2 0.18136 10 10.000 106.850 0.23442 0.26374 11 11.000 107.850 0.51510 0.36952 12 12.000 108.850 0.73984 0.49656 13 13.000 109.850 0.87174 0.63601 14 14.000 110.850 0.93716 0.77136 15 15.000 111.850 0.98403 0.88222 16 16.000 112.850 0.99792 0.95410 17 17.000 113.850 1.00000 0.98790 18 18.000 114.850 1.00000 0.99816 19 19.000 115.850 1.00000 0.99987 20 20.000 116.850 1.00000 1.00000 # #SCAN: 5 sample_I_cycle8_1Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 88.850 0.0 2.12283E-4 2 4.000 90.850 0.0 6.50823E-4 3 6.000 92.850 0.0 1.71440E-3 4 8.000 94.850 0.0 4.14521E-3 5 10.000 96.850 0.0 9.49016E-3 6 12.000 98.850 0.0 2.08986E-2 7 14.000 100.850 0.0 4.45718E-2 8 15.000 101.850 0.0 6.43288E-2 9 16.000 102.850 0.0 9.20369E-2 10 17.000 103.850 0.0 0.13035 11 18.000 104.850 1.85154E-2 0.18237 12 19.000 105.850 2.33182E-2 0.25125 13 20.000 106.850 0.10476 0.33941 14 21.000 107.850 0.33174 0.44706 15 22.000 108.850 0.54490 0.57025 16 23.000 109.850 0.74310 0.69909 17 24.000 110.850 0.82838 0.81802 18 25.000 111.850 0.90223 0.91037 19 26.000 112.850 0.96351 0.96687 20 27.000 113.850 0.99688 0.99180 21 28.000 114.850 1.00000 0.99884 22 29.000 115.850 1.00000 0.99992 23 30.000 116.850 1.00000 1.00000 24 32.000 118.850 1.00000 1.00000 # #SCAN: 6 sample_I_cycle4_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 1.92079E-4 2 4.000 88.850 0.0 4.86951E-4 3 6.000 89.850 0.0 1.02272E-3 4 8.000 90.850 0.0 1.93053E-3 5 10.000 91.850 0.0 3.40376E-3 6 12.000 92.850 0.0 5.72529E-3 7 14.000 93.850 0.0 9.30522E-3 8 16.000 94.850 0.0 1.47325E-2 9 18.000 95.850 0.0 2.28437E-2 10 20.000 96.850 0.0 3.48094E-2 11 22.000 97.850 0.0 5.22364E-2 12 24.000 98.850 0.0 7.72705E-2 13 26.000 99.850 6.79355E-3 0.11266 14 28.000 100.850 2.71790E-2 0.16171 15 30.000 101.850 6.98028E-2 0.22796 16 32.000 102.850 0.17582 0.31440 17 34.000 103.850 0.39221 0.42199 18 36.000 104.850 0.58433 0.54740 19 38.000 105.850 0.72332 0.68090 20 40.000 106.850 0.80555 0.80608 21 42.000 107.850 0.87119 0.90447 22 44.000 108.850 0.93176 0.96500 23 46.000 109.850 0.97122 0.99154 24 48.000 110.850 0.99150 0.99886 25 50.000 111.850 1.00000 0.99993 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 31 62.000 117.850 1.00000 1.00000 32 64.000 118.850 1.00000 1.00000 33 66.000 119.850 1.00000 1.00000 34 68.000 120.850 1.00000 1.00000 # #SCAN: 7 sample_I_cycle5_0.5Kmin.txt # Time/min; Temp/°C; O_Mass/% R_Mass/% 0 0.000 86.850 0.0 5.00083E-5 1 2.000 87.850 0.0 1.92079E-4 2 4.000 88.850 0.0 4.86951E-4 3 6.000 89.850 0.0 1.02272E-3 4 8.000 90.850 0.0 1.93053E-3 5 10.000 91.850 0.0 3.40376E-3 6 12.000 92.850 0.0 5.72529E-3 7 14.000 93.850 0.0 9.30522E-3 8 16.000 94.850 0.0 1.47325E-2 9 18.000 95.850 0.0 2.28437E-2 10 20.000 96.850 0.0 3.48094E-2 11 22.000 97.850 6.41013E-3 5.22364E-2 12 24.000 98.850 2.08586E-2 7.72705E-2 13 26.000 99.850 4.23671E-2 0.11266 14 28.000 100.850 0.11443 0.16171 15 30.000 101.850 0.27332 0.22796 16 32.000 102.850 0.47001 0.31440 17 34.000 103.850 0.68627 0.42199 18 36.000 104.850 0.81768 0.54740 19 38.000 105.850 0.90327 0.68090 20 40.000 106.850 0.95187 0.80608 21 42.000 107.850 0.98085 0.90447 22 44.000 108.850 0.98641 0.96500 23 46.000 109.850 0.98964 0.99154 24 48.000 110.850 1.00000 0.99886 25 50.000 111.850 1.00000 0.99993 26 52.000 112.850 1.00000 1.00000 27 54.000 113.850 1.00000 1.00000 28 56.000 114.850 1.00000 1.00000 29 58.000 115.850 1.00000 1.00000 30 60.000 116.850 1.00000 1.00000 #End #Project:sample_II-b #Meas. type:ALPHA #Model Step 1: Prout-Tompkins n-th order,a autocat # #KINETIC PARAMETERS #log A1/s^-1: 16.62649 #E1 kJ/mol: 133.33708 #React.ord. 1: 1.52651 #Exponent a1: 0.67417 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 # #STATISTICS #Least Squares: 13.43869 #Mean of residues: 0.38429 #Max.No of cycles: 50 #Number of cycles: 14 #Correlation coefficient: 0.994592 #Rel.precision:0.001000 #t-critical(0.95;41): 2.010 #Durbin-Watson Value: 0.453 #Durbin-Watson Factor: 1.577 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.69 41 s: Bna 1 1.19 1.69 41 s: Cn B 2 1.80 1.68 42 s: An 3 1.85 1.67 43 s: A2 4 2.22 1.68 42 s: C1 B 5 3.45 1.67 43 s: R3 6 3.49 1.67 43 s: F1 7 3.51 1.68 42 s: Fn 8 3.54 1.67 43 s: R2 9 3.72 1.67 43 s: A3 10 4.66 1.67 43 s: F2 11 6.07 1.67 43 s: D1F 12 6.43 1.67 43 s: D3F 13 6.51 1.67 43 s: D3 14 6.62 1.67 43 s: D4 15 6.72 1.67 43 s: D2 16 6.91 1.67 43 s: D1 17 14.44 1.67 43 s: B1 # #SCAN: 1 sample_II-b_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 1.11943E-4 2 2.000 80.850 0.0 2.49894E-4 3 3.000 82.850 0.0 5.55453E-4 4 4.000 84.850 0.0 1.22776E-3 5 5.000 86.850 0.0 2.69535E-3 6 6.000 88.850 0.0 5.86745E-3 7 7.000 90.850 0.0 1.26325E-2 8 8.000 92.850 0.0 2.67699E-2 9 9.000 94.850 1.84379E-2 5.53274E-2 10 10.000 96.850 3.60506E-2 0.10969 11 11.000 98.850 0.13846 0.20318 12 12.000 100.850 0.30654 0.34037 13 13.000 102.850 0.44548 0.50340 14 14.000 104.850 0.58898 0.65781 15 15.000 106.850 0.72667 0.77843 16 16.000 108.850 0.83227 0.86113 17 17.000 110.850 0.91366 0.91390 18 18.000 112.850 0.96306 0.94654 19 19.000 114.850 0.98206 0.96657 20 20.000 116.850 0.99585 0.97889 21 21.000 118.850 1.00000 0.98654 22 22.000 120.850 1.00000 0.99133 23 23.000 122.850 1.00000 0.99437 24 24.000 124.850 1.00000 0.99631 25 25.000 126.850 1.00000 0.99757 # #SCAN: 2 sample_II-b_cycle5_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 82.850 0.0 5.00083E-5 1 1.000 84.850 0.0 2.31228E-4 2 2.000 86.850 0.0 8.09500E-4 3 3.000 88.850 0.0 2.41919E-3 4 4.000 90.850 0.0 6.52409E-3 5 5.000 92.850 1.13166E-2 1.63223E-2 6 6.000 94.850 2.98026E-2 3.83022E-2 7 7.000 96.850 5.96278E-2 8.40164E-2 8 8.000 98.850 0.17333 0.16910 9 9.000 100.850 0.37637 0.30304 10 10.000 102.850 0.54859 0.47117 11 11.000 104.850 0.68119 0.63573 12 12.000 106.850 0.77975 0.76568 13 13.000 108.850 0.88768 0.85447 14 14.000 110.850 0.96301 0.91058 15 15.000 112.850 0.98726 0.94491 16 16.000 114.850 1.00000 0.96576 17 17.000 116.850 1.00000 0.97849 18 18.000 118.850 1.00000 0.98634 19 19.000 120.850 1.00000 0.99123 20 20.000 122.850 1.00000 0.99432 21 22.000 126.850 1.00000 0.99755 # #SCAN: 3 sample_II-b_cycle4_1.5Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 66.850 0.0 5.00083E-5 1 2.000 69.850 0.0 8.07892E-5 2 4.000 72.850 0.0 1.47878E-4 3 6.000 75.850 0.0 3.05818E-4 4 8.000 78.850 0.0 7.04945E-4 5 10.000 81.850 0.0 1.77405E-3 6 12.000 84.850 0.0 4.75923E-3 7 14.000 87.850 0.0 1.32736E-2 8 16.000 90.850 1.62621E-2 3.73721E-2 9 18.000 93.850 4.84191E-2 0.10146 10 20.000 96.850 0.22111 0.24483 11 22.000 99.850 0.45324 0.47211 12 24.000 102.850 0.65598 0.69787 13 26.000 105.850 0.82350 0.84696 14 28.000 108.850 0.89684 0.92537 15 30.000 111.850 0.98147 0.96342 16 32.000 114.850 0.99491 0.98173 17 34.000 117.850 1.00000 0.99068 18 36.000 120.850 1.00000 0.99515 19 38.000 123.850 1.00000 0.99743 20 40.000 126.850 1.00000 0.99862 # #SCAN: 4 sample_II-b_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 74.850 0.0 5.00083E-5 1 2.000 76.850 0.0 1.60489E-4 2 4.000 78.850 0.0 4.61245E-4 3 6.000 80.850 0.0 1.23048E-3 4 8.000 82.850 0.0 3.11026E-3 5 10.000 84.850 0.0 7.53698E-3 6 12.000 86.850 1.34310E-2 1.76012E-2 7 14.000 88.850 2.98395E-2 3.95490E-2 8 16.000 90.850 0.12922 8.45798E-2 9 18.000 92.850 0.22682 0.16821 10 20.000 94.850 0.36876 0.30069 11 22.000 96.850 0.50254 0.46877 12 24.000 98.850 0.63580 0.63478 13 26.000 100.850 0.74600 0.76637 14 28.000 102.850 0.83177 0.85608 15 30.000 104.850 0.91345 0.91242 16 32.000 106.850 0.95819 0.94661 17 34.000 108.850 0.97937 0.96717 18 36.000 110.850 0.98866 0.97960 19 38.000 112.850 1.00000 0.98718 20 40.000 114.850 1.00000 0.99186 21 42.000 116.850 1.00000 0.99478 #End #Project:sample_II-b #Meas. type:ALPHA #Model Step 1: n-th order with autocatalysis by B # #KINETIC PARAMETERS #log A1/s^-1: 14.95511 #E1 kJ/mol: 132.95157 #React.ord. 1: 1.79136 #log Kcat 1: 1.81479 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 # #STATISTICS #Least Squares: 15.99579 #Mean of residues: 0.41926 #Max.No of cycles: 50 #Number of cycles: 14 #Correlation coefficient: 0.993579 #Rel.precision:0.001000 #t-critical(0.95;41): 2.010 #Durbin-Watson Value: 0.499 #Durbin-Watson Factor: 1.513 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.69 41 s: Bna 1 1.19 1.69 41 s: Cn B 2 1.80 1.68 42 s: An 3 1.85 1.67 43 s: A2 4 2.22 1.68 42 s: C1 B 5 3.45 1.67 43 s: R3 6 3.49 1.67 43 s: F1 7 3.51 1.68 42 s: Fn 8 3.54 1.67 43 s: R2 9 3.72 1.67 43 s: A3 10 4.66 1.67 43 s: F2 11 6.07 1.67 43 s: D1F 12 6.43 1.67 43 s: D3F 13 6.51 1.67 43 s: D3 14 6.62 1.67 43 s: D4 15 6.72 1.67 43 s: D2 16 6.91 1.67 43 s: D1 17 14.44 1.67 43 s: B1 # #SCAN: 1 sample_II-b_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 9.67950E-4 2 2.000 80.850 0.0 2.23546E-3 3 3.000 82.850 0.0 4.01320E-3 4 4.000 84.850 0.0 6.55807E-3 5 5.000 86.850 0.0 1.02980E-2 6 6.000 88.850 0.0 1.59786E-2 7 7.000 90.850 0.0 2.49595E-2 8 8.000 92.850 0.0 3.98329E-2 9 9.000 94.850 1.84379E-2 6.56819E-2 10 10.000 96.850 3.60506E-2 0.11230 11 11.000 98.850 0.13846 0.19592 12 12.000 100.850 0.30654 0.33149 13 13.000 102.850 0.44548 0.50501 14 14.000 104.850 0.58898 0.66753 15 15.000 106.850 0.72667 0.78580 16 16.000 108.850 0.83227 0.86166 17 17.000 110.850 0.91366 0.90875 18 18.000 112.850 0.96306 0.93829 19 19.000 114.850 0.98206 0.95730 20 20.000 116.850 0.99585 0.96986 21 21.000 118.850 1.00000 0.97838 22 22.000 120.850 1.00000 0.98428 23 23.000 122.850 1.00000 0.98843 24 24.000 124.850 1.00000 0.99141 25 25.000 126.850 1.00000 0.99357 # #SCAN: 2 sample_II-b_cycle5_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 82.850 0.0 5.00083E-5 1 1.000 84.850 0.0 2.08950E-3 2 2.000 86.850 0.0 5.09367E-3 3 3.000 88.850 0.0 9.67227E-3 4 4.000 90.850 0.0 1.69498E-2 5 5.000 92.850 1.13166E-2 2.91063E-2 6 6.000 94.850 2.98026E-2 5.05421E-2 7 7.000 96.850 5.96278E-2 9.01861E-2 8 8.000 98.850 0.17333 0.16444 9 9.000 100.850 0.37637 0.29295 10 10.000 102.850 0.54859 0.47007 11 11.000 104.850 0.68119 0.64470 12 12.000 106.850 0.77975 0.77363 13 13.000 108.850 0.88768 0.85562 14 14.000 110.850 0.96301 0.90575 15 15.000 112.850 0.98726 0.93677 16 16.000 114.850 1.00000 0.95650 17 17.000 116.850 1.00000 0.96943 18 18.000 118.850 1.00000 0.97814 19 19.000 120.850 1.00000 0.98414 20 20.000 122.850 1.00000 0.98835 21 22.000 126.850 1.00000 0.99354 # #SCAN: 3 sample_II-b_cycle4_1.5Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 66.850 0.0 5.00083E-5 1 2.000 69.850 0.0 5.62696E-4 2 4.000 72.850 0.0 1.36470E-3 3 6.000 75.850 0.0 2.63527E-3 4 8.000 78.850 0.0 4.69248E-3 5 10.000 81.850 0.0 8.14013E-3 6 12.000 84.850 0.0 1.42237E-2 7 14.000 87.850 0.0 2.57732E-2 8 16.000 90.850 1.62621E-2 4.98905E-2 9 18.000 93.850 4.84191E-2 0.10550 10 20.000 96.850 0.22111 0.23610 11 22.000 99.850 0.45324 0.47214 12 24.000 102.850 0.65598 0.70838 13 26.000 105.850 0.82350 0.84918 14 28.000 108.850 0.89684 0.91915 15 30.000 111.850 0.98147 0.95430 16 32.000 114.850 0.99491 0.97297 17 34.000 117.850 1.00000 0.98345 18 36.000 120.850 1.00000 0.98960 19 38.000 123.850 1.00000 0.99332 20 40.000 126.850 1.00000 0.99565 # #SCAN: 4 sample_II-b_cycle3_1Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 74.850 0.0 5.00083E-5 1 2.000 76.850 0.0 1.48608E-3 2 4.000 78.850 0.0 3.54566E-3 3 6.000 80.850 0.0 6.57600E-3 4 8.000 82.850 0.0 1.11829E-2 5 10.000 84.850 0.0 1.84780E-2 6 12.000 86.850 1.34310E-2 3.06066E-2 7 14.000 88.850 2.98395E-2 5.18869E-2 8 16.000 90.850 0.12922 9.10833E-2 9 18.000 92.850 0.22682 0.16442 10 20.000 94.850 0.36876 0.29186 11 22.000 96.850 0.50254 0.46903 12 24.000 98.850 0.63580 0.64503 13 26.000 100.850 0.74600 0.77516 14 28.000 102.850 0.83177 0.85760 15 30.000 104.850 0.91345 0.90772 16 32.000 106.850 0.95819 0.93854 17 34.000 108.850 0.97937 0.95802 18 36.000 110.850 0.98866 0.97071 19 38.000 112.850 1.00000 0.97920 20 40.000 114.850 1.00000 0.98501 21 42.000 116.850 1.00000 0.98907 #End #Project:sample_II-d #Meas. type:ALPHA #Model Step 1: Prout-Tompkins n-th order,a autocat # #KINETIC PARAMETERS #log A1/s^-1: 13.02754 #E1 kJ/mol: 106.89296 #React.ord. 1: 1.49572 #Exponent a1: 0.65505 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 # #STATISTICS #Least Squares: 13.19186 #Mean of residues: 0.38285 #Max.No of cycles: 50 #Number of cycles: 2 #Correlation coefficient: 0.995434 #Rel.precision:0.001000 #t-critical(0.95;49): 2.000 #Durbin-Watson Value: 0.406 #Durbin-Watson Factor: 1.656 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.61 49 s: Bna 1 1.16 1.61 49 s: Cn B 2 1.95 1.61 50 s: An 3 2.06 1.60 51 s: A2 4 2.39 1.61 50 s: C1 B 5 4.37 1.60 51 s: R3 6 4.40 1.60 51 s: R2 7 4.45 1.61 50 s: Fn 8 4.55 1.60 51 s: F1 9 4.63 1.60 51 s: A3 10 6.20 1.60 51 s: F2 11 8.29 1.60 51 s: D1F 12 8.86 1.60 51 s: D3F 13 9.00 1.60 51 s: D3 14 9.08 1.60 51 s: D4 15 9.19 1.60 51 s: D1 16 9.21 1.60 51 s: D2 17 17.75 1.60 51 s: B1 # #SCAN: 1 sample_II-d_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 2.89458E-4 2 2.000 80.850 0.0 1.04798E-3 3 3.000 82.850 0.0 3.01107E-3 4 4.000 84.850 0.0 7.53238E-3 5 5.000 86.850 1.37718E-2 1.71413E-2 6 6.000 88.850 2.64933E-2 3.62488E-2 7 7.000 90.850 5.73044E-2 7.17640E-2 8 8.000 92.850 0.12167 0.13260 9 9.000 94.850 0.19096 0.22614 10 10.000 96.850 0.29925 0.35119 11 11.000 98.850 0.41440 0.49294 12 12.000 100.850 0.59236 0.62879 13 13.000 102.850 0.71313 0.74140 14 14.000 104.850 0.82574 0.82532 15 15.000 106.850 0.89295 0.88378 16 16.000 108.850 0.93437 0.92301 17 17.000 110.850 0.96444 0.94890 18 18.000 112.850 0.97969 0.96590 19 19.000 114.850 0.98924 0.97709 20 20.000 116.850 1.00000 0.98450 # #SCAN: 2 sample_II-d_cycle3_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 2.89458E-4 2 2.000 80.850 0.0 1.04798E-3 3 3.000 82.850 0.0 3.01107E-3 4 4.000 84.850 0.0 7.53238E-3 5 5.000 86.850 1.43685E-2 1.71413E-2 6 6.000 88.850 3.32220E-2 3.62488E-2 7 7.000 90.850 7.94621E-2 7.17640E-2 8 8.000 92.850 0.17530 0.13260 9 9.000 94.850 0.32598 0.22614 10 10.000 96.850 0.45928 0.35119 11 11.000 98.850 0.57339 0.49294 12 12.000 100.850 0.65471 0.62879 13 13.000 102.850 0.73251 0.74140 14 14.000 104.850 0.78721 0.82532 15 15.000 106.850 0.85136 0.88378 16 16.000 108.850 0.89956 0.92301 17 17.000 110.850 0.93462 0.94890 18 18.000 112.850 0.97301 0.96590 19 19.000 114.850 0.98724 0.97709 20 20.000 116.850 1.00000 0.98450 21 21.000 118.850 1.00000 0.98943 22 22.000 120.850 1.00000 0.99275 23 23.000 122.850 1.00000 0.99499 # #SCAN: 3 sample_II-d_cycle5_1.5Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 56.850 0.0 5.00083E-5 1 2.000 59.850 0.0 8.35495E-5 2 4.000 62.850 0.0 1.52148E-4 3 6.000 65.850 0.0 2.99236E-4 4 8.000 68.850 0.0 6.27374E-4 5 10.000 71.850 0.0 1.38191E-3 6 12.000 74.850 0.0 3.15237E-3 7 14.000 77.850 0.0 7.34697E-3 8 16.000 80.850 0.0 1.72598E-2 9 18.000 83.850 1.95888E-2 4.02138E-2 10 20.000 86.850 6.12143E-2 9.06805E-2 11 22.000 89.850 0.13127 0.19019 12 24.000 92.850 0.29233 0.35141 13 26.000 95.850 0.52432 0.54766 14 28.000 98.850 0.73605 0.72209 15 30.000 101.850 0.83183 0.84235 16 32.000 104.850 0.92293 0.91353 17 34.000 107.850 0.96318 0.95283 18 36.000 110.850 0.99621 0.97407 19 38.000 113.850 1.00000 0.98556 20 40.000 116.850 1.00000 0.99185 21 42.000 119.850 1.00000 0.99534 22 44.000 122.850 1.00000 0.99730 # #SCAN: 4 sample_II-d_cycle4_1Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 66.850 0.0 5.00083E-5 1 6.000 72.850 0.0 1.40099E-3 2 10.000 76.850 0.0 7.32175E-3 3 12.000 78.850 0.0 1.54308E-2 4 14.000 80.850 1.48202E-2 3.11467E-2 5 16.000 82.850 3.85459E-2 6.02110E-2 6 18.000 84.850 0.10801 0.11074 7 20.000 86.850 0.19299 0.19125 8 22.000 88.850 0.33527 0.30492 9 24.000 90.850 0.47463 0.44258 10 26.000 92.850 0.61098 0.58337 11 28.000 94.850 0.72464 0.70630 12 30.000 96.850 0.79853 0.80106 13 32.000 98.850 0.85944 0.86818 14 34.000 100.850 0.90868 0.91342 15 36.000 102.850 0.96609 0.94318 16 38.000 104.850 0.99771 0.96257 17 40.000 106.850 1.00000 0.97519 18 42.000 108.850 1.00000 0.98344 19 44.000 110.850 1.00000 0.98886 20 46.000 112.850 1.00000 0.99246 21 50.000 116.850 1.00000 0.99648 #End #Project:sample_II-d #Meas. type:ALPHA #Model Step 1: n-th order with autocatalysis by B # #KINETIC PARAMETERS #log A1/s^-1: 11.42336 #E1 kJ/mol: 106.35081 #React.ord. 1: 1.75281 #log Kcat 1: 1.72479 #Alpha 1/%: 1.00000 #Alpha 2/%: 1.00000 #Alpha 3/%: 1.00000 #Alpha 4/%: 1.00000 # #STATISTICS #Least Squares: 15.27543 #Mean of residues: 0.41198 #Max.No of cycles: 50 #Number of cycles: 9 #Correlation coefficient: 0.994712 #Rel.precision:0.001000 #t-critical(0.95;49): 2.000 #Durbin-Watson Value: 0.360 #Durbin-Watson Factor: 1.748 # #F-TEST ON FIT-QUALITY #No F-value F-crit f Code 0 1.00 1.61 49 s: Bna 1 1.16 1.61 49 s: Cn B 2 1.95 1.61 50 s: An 3 2.06 1.60 51 s: A2 4 2.39 1.61 50 s: C1 B 5 4.37 1.60 51 s: R3 6 4.40 1.60 51 s: R2 7 4.45 1.61 50 s: Fn 8 4.55 1.60 51 s: F1 9 4.63 1.60 51 s: A3 10 6.20 1.60 51 s: F2 11 8.29 1.60 51 s: D1F 12 8.86 1.60 51 s: D3F 13 9.00 1.60 51 s: D3 14 9.08 1.60 51 s: D4 15 9.19 1.60 51 s: D1 16 9.21 1.60 51 s: D2 17 17.75 1.60 51 s: B1 # #SCAN: 1 sample_II-d_cycle2_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 2.58122E-3 2 2.000 80.850 0.0 6.14154E-3 3 3.000 82.850 0.0 1.12824E-2 4 4.000 84.850 0.0 1.89363E-2 5 5.000 86.850 1.37718E-2 3.07299E-2 6 6.000 88.850 2.64933E-2 4.95637E-2 7 7.000 90.850 5.73044E-2 8.05949E-2 8 8.000 92.850 0.12167 0.13244 9 9.000 94.850 0.19096 0.21669 10 10.000 96.850 0.29925 0.34048 11 11.000 98.850 0.41440 0.49109 12 12.000 100.850 0.59236 0.63599 13 13.000 102.850 0.71313 0.75004 14 14.000 104.850 0.82574 0.82969 15 15.000 106.850 0.89295 0.88271 16 16.000 108.850 0.93437 0.91778 17 17.000 110.850 0.96444 0.94127 18 18.000 112.850 0.97969 0.95732 19 19.000 114.850 0.98924 0.96851 20 20.000 116.850 1.00000 0.97645 # #SCAN: 2 sample_II-d_cycle3_2Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 76.850 0.0 5.00083E-5 1 1.000 78.850 0.0 2.58122E-3 2 2.000 80.850 0.0 6.14154E-3 3 3.000 82.850 0.0 1.12824E-2 4 4.000 84.850 0.0 1.89363E-2 5 5.000 86.850 1.43685E-2 3.07299E-2 6 6.000 88.850 3.32220E-2 4.95637E-2 7 7.000 90.850 7.94621E-2 8.05949E-2 8 8.000 92.850 0.17530 0.13244 9 9.000 94.850 0.32598 0.21669 10 10.000 96.850 0.45928 0.34048 11 11.000 98.850 0.57339 0.49109 12 12.000 100.850 0.65471 0.63599 13 13.000 102.850 0.73251 0.75004 14 14.000 104.850 0.78721 0.82969 15 15.000 106.850 0.85136 0.88271 16 16.000 108.850 0.89956 0.91778 17 17.000 110.850 0.93462 0.94127 18 18.000 112.850 0.97301 0.95732 19 19.000 114.850 0.98724 0.96851 20 20.000 116.850 1.00000 0.97645 21 21.000 118.850 1.00000 0.98219 22 22.000 120.850 1.00000 0.98640 23 23.000 122.850 1.00000 0.98953 # #SCAN: 3 sample_II-d_cycle5_1.5Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 56.850 0.0 5.00083E-5 1 2.000 59.850 0.0 6.17973E-4 2 4.000 62.850 0.0 1.44884E-3 3 6.000 65.850 0.0 2.67383E-3 4 8.000 68.850 0.0 4.50375E-3 5 10.000 71.850 0.0 7.29262E-3 6 12.000 74.850 0.0 1.16675E-2 7 14.000 77.850 0.0 1.88088E-2 8 16.000 80.850 0.0 3.10876E-2 9 18.000 83.850 1.95888E-2 5.35649E-2 10 20.000 86.850 6.12143E-2 9.73482E-2 11 22.000 89.850 0.13127 0.18473 12 24.000 92.850 0.29233 0.34261 13 26.000 95.850 0.52432 0.55183 14 28.000 98.850 0.73605 0.73226 15 30.000 101.850 0.83183 0.84596 16 32.000 104.850 0.92293 0.90963 17 34.000 107.850 0.96318 0.94510 18 36.000 110.850 0.99621 0.96551 19 38.000 113.850 1.00000 0.97772 20 40.000 116.850 1.00000 0.98527 21 42.000 119.850 1.00000 0.99008 22 44.000 122.850 1.00000 0.99321 # #SCAN: 4 sample_II-d_cycle4_1Kmin.txt # Time/min; Temp/°C; O_Y R_Y 0 0.000 66.850 0.0 5.00083E-5 1 6.000 72.850 0.0 7.33292E-3 2 10.000 76.850 0.0 1.87474E-2 3 12.000 78.850 0.0 2.90222E-2 4 14.000 80.850 1.48202E-2 4.51335E-2 5 16.000 82.850 3.85459E-2 7.12611E-2 6 18.000 84.850 0.10801 0.11460 7 20.000 86.850 0.19299 0.18594 8 22.000 88.850 0.33527 0.29556 9 24.000 90.850 0.47463 0.43962 10 26.000 92.850 0.61098 0.59062 11 28.000 94.850 0.72464 0.71726 12 30.000 96.850 0.79853 0.80847 13 32.000 98.850 0.85944 0.86959 14 34.000 100.850 0.90868 0.90978 15 36.000 102.850 0.96609 0.93641 16 38.000 104.850 0.99771 0.95437 17 40.000 106.850 1.00000 0.96673 18 42.000 108.850 1.00000 0.97541 19 44.000 110.850 1.00000 0.98160 20 46.000 112.850 1.00000 0.98610 21 50.000 116.850 1.00000 0.99186 #End