Appendix I to Paper: High resolution study of Q-branches in the E^1Pi - X^1Sigma^+ (0,0) band of 12C16O, 13C16O, and 13C18O by Cacciani and Ubachs ****************************************************************************************** RESULTS FROM FIT 12C16O ****************************************************************************************** FCN VALUE CALLS TIME EDM 2.2997070E+02 707 0.00 1.09E-03 INT.EXT. PARAMETER VALUE ERROR INTERN.VALUE INT.STEP SIZE 1 1 BEXE 1.96463E+00 2.03484E-05 2.43880E+00 -1.70705E-06 2 2 BEXF 1.95267E+00 7.69595E-06 2.58685E+00 9.32795E-06 3 3 DEXE 6.55395E-01 1.31288E-03 -6.21049E-01 1.57234E-05 4 4 DEXF 6.34195E-01 1.86269E-03 -6.52065E-01 -1.75167E-04 5 5 ANUZEX 9.29299E+04 3.72544E-04 -7.14756E-03 2.50844E-06 6 6 DEL 7.76468E-02 7.35746E-03 2.94624E+00 6.83095E-05 7 7 DELPDL -2.15313E-02 6.20457E-03 -2.17012E-01 -3.06491E-04 8 HEX 0.00000E+00 ERRORS CORRESPOND TO FUNCTION CHANGE OF 1.0000 INTERNAL COVARIANCE MATRIX LAST FRACTIONAL CHANGE WAS 0.035293 CORRELATION COEFFICIENTS INT. 1 2 3 4 5 6 2 0.429 3-0.922-0.379 4 0.054-0.040 0.023 5 0.282 0.385-0.247 0.185 6-0.412-0.277 0.221-0.305-0.155 7 0.663 0.331-0.519 0.153 0.166-0.396 GLOBAL CORRELATION PARAMETER COEFFICIENT 1 BEXE 0.92024 2 BEXF 0.29805 3 DEXE 0.88921 4 DEXF 0.16791 5 ANUZEX 0.21063 6 DEL 0.39584 ****************************************************************************************** DATA SET AND DEVIATIONS IN FIT I : line number FRCA(I) : transition frequency calculated with resulting constants FREX(I) : experimental transition frequencies ERROR(I): uncertainty in the experimental data DIFF : Observed - Calculated in frequency CHI2 : chi-square per data point form the fit IROT : J-quantum number ground state level IPR : Branch, O branch -2, P branch -1, Q branch 0, R branch 1, S branch 2 Transition : 2 + 1 REMPI = 2, Previous 1 + 1 with PDL based source =1 New data with PDA based source and 1 + 1 = 0 K : lines pertubred by k-triplet state, given larger uncertainties to remove them effectively from the fit. ****************************************************************************************** 1 92903.346 92903.337 0.069 -0.009 0.016 4 -2 2 2 92895.910 92895.977 0.074 0.067 0.808 5 -2 2 3 92874.119 92874.025 0.063 -0.094 2.223 8 -2 2 4 92846.271 92846.184 0.058 -0.087 2.257 12 -2 2 5 92839.526 92839.532 0.056 0.006 0.011 13 -2 2 6 92826.298 92826.352 0.060 0.054 0.804 15 -2 2 7 92819.815 92819.850 0.059 0.035 0.345 16 -2 2 8 92813.420 92813.405 0.059 -0.015 0.066 17 -2 2 9 92807.113 92807.137 0.057 0.024 0.180 18 -2 2 10 92800.893 92800.884 0.056 -0.009 0.028 19 -2 2 11 92794.762 92794.703 0.055 -0.059 1.148 20 -2 2 12 92788.719 92788.676 0.057 -0.043 0.559 21 -2 2 13 92782.764 92782.825 0.057 0.061 1.162 22 -2 2 14 92776.897 92776.904 0.058 0.007 0.015 23 -2 2 15 92771.118 92771.098 0.059 -0.020 0.119 24 -2 2 16 92765.428 92765.524 0.059 0.096 2.625 25 -2 2 17 92759.827 92759.903 0.059 0.076 1.664 26 -2 2 18 92754.314 92754.330 0.056 0.016 0.083 27 -2 2 19 92748.889 92748.925 0.057 0.036 0.390 28 -2 2 20 92743.553 92743.469 0.059 -0.084 2.048 29 -2 2 21 92738.306 92737.985 5.056 -0.321 0.004 30 -2 2 K 22 92733.147 92732.903 5.058 -0.244 0.002 31 -2 2 K 23 92728.077 92727.931 0.059 -0.146 6.094 32 -2 2 24 92723.095 92722.441 5.088 -0.654 0.017 33 -2 2 K 25 92723.095 92723.569 5.064 0.474 0.009 33 -2 2 K 26 92718.201 92718.191 0.057 -0.010 0.031 34 -2 2 27 92713.396 92713.368 0.057 -0.028 0.237 35 -2 2 28 92708.679 92708.757 0.058 0.078 1.821 36 -2 2 29 92704.050 92704.162 0.058 0.112 3.740 37 -2 2 30 92699.509 92699.603 0.059 0.094 2.538 38 -2 2 31 92695.056 92695.172 0.062 0.116 3.495 39 -2 2 32 92690.691 92690.809 0.066 0.118 3.198 40 -2 2 33 92686.414 92686.536 0.067 0.122 3.342 41 -2 2 34 92682.224 92682.320 0.074 0.096 1.699 42 -2 2 35 92678.121 92678.169 0.065 0.048 0.547 43 -2 2 36 92674.105 92674.137 0.085 0.032 0.138 44 -2 2 37 92670.177 92670.274 0.096 0.097 1.024 45 -2 2 38 92666.335 92666.064 0.110 -0.271 6.068 46 -2 2 K 39 92662.580 92662.520 0.117 -0.060 0.260 47 -2 2 40 92658.910 92658.810 0.126 -0.100 0.636 48 -2 2 41 92655.327 92655.361 0.202 0.034 0.028 49 -2 2 42 92651.830 92651.726 0.187 -0.104 0.309 50 -2 2 43 92648.418 92648.513 0.359 0.095 0.070 51 -2 2 44 92922.377 92922.484 0.062 0.107 3.004 2 -1 2 45 92918.653 92918.807 0.063 0.154 6.013 3 -1 2 46 92914.989 92915.085 0.054 0.096 3.148 4 -1 2 47 92911.387 92911.482 0.059 0.095 2.608 5 -1 2 48 92907.845 92907.922 0.057 0.077 1.815 6 -1 2 49 92904.365 92904.393 0.053 0.028 0.283 7 -1 2 50 92900.946 92900.988 0.053 0.042 0.641 8 -1 2 51 92897.588 92897.638 0.056 0.050 0.808 9 -1 2 52 92894.291 92894.331 0.055 0.040 0.525 10 -1 2 53 92891.056 92891.025 0.062 -0.031 0.253 11 -1 2 54 92884.771 92884.709 0.054 -0.062 1.324 13 -1 2 55 92878.733 92878.716 0.059 -0.017 0.085 15 -1 2 56 92875.807 92875.828 0.055 0.021 0.145 16 -1 2 57 92872.943 92872.941 0.057 -0.002 0.001 17 -1 2 58 92870.141 92870.127 0.055 -0.014 0.063 18 -1 2 59 92864.723 92864.658 0.055 -0.065 1.395 20 -1 2 60 92862.107 92862.071 0.056 -0.036 0.420 21 -1 2 61 92857.063 92856.887 0.059 -0.176 8.864 23 -1 2 62 92854.634 92854.530 0.067 -0.104 2.397 24 -1 2 63 92849.963 92849.932 0.058 -0.031 0.281 26 -1 2 64 92847.721 92847.718 0.081 -0.003 0.001 27 -1 2 65 92845.541 92845.406 0.071 -0.135 3.612 28 -1 2 66 92843.423 92843.453 0.101 0.030 0.085 29 -1 2 67 92841.368 92841.462 0.134 0.094 0.489 30 -1 2 68 92837.445 92837.442 0.137 -0.003 0.000 32 -1 2 69 92958.601 92958.589 0.059 -0.012 0.038 6 1 2 70 92967.305 92967.227 0.059 -0.078 1.745 8 1 2 71 92971.745 92971.745 0.056 0.000 0.000 9 1 2 72 92976.244 92976.218 0.051 -0.026 0.265 10 1 2 73 92980.802 92980.726 0.058 -0.076 1.695 11 1 2 74 92985.417 92985.403 0.057 -0.014 0.059 12 1 2 75 92994.821 92994.888 0.058 0.067 1.335 14 1 2 76 92994.821 92994.756 0.058 -0.065 1.255 14 1 2 77 93004.455 93004.407 0.058 -0.048 0.681 16 1 2 78 93009.357 93009.320 0.059 -0.037 0.401 17 1 2 79 93014.317 93014.347 0.065 0.030 0.219 18 1 2 80 93019.332 93019.455 0.063 0.123 3.793 19 1 2 81 93029.532 93029.603 0.057 0.071 1.549 21 1 2 82 93034.716 93034.759 0.065 0.043 0.446 22 1 2 83 93039.955 93039.992 0.072 0.037 0.271 23 1 2 84 93045.249 93045.245 0.080 -0.004 0.002 24 1 2 85 93050.597 93050.467 5.040 -0.130 0.001 25 1 2 86 93056.001 93055.835 0.060 -0.166 7.637 26 1 2 87 93061.458 93061.267 5.072 -0.191 0.001 27 1 2 K 88 93066.970 93066.824 0.067 -0.146 4.748 28 1 2 89 93072.535 93072.475 0.069 -0.060 0.760 29 1 2 90 93083.825 93083.903 0.074 0.078 1.111 31 1 2 91 93089.549 93089.618 0.070 0.069 0.972 32 1 2 92 93095.325 93095.298 0.101 -0.027 0.073 33 1 2 93 93101.153 93101.215 0.126 0.062 0.238 34 1 2 94 93112.964 93113.036 0.134 0.072 0.287 36 1 2 95 93118.946 93119.105 0.206 0.159 0.596 37 1 2 96 93131.060 93131.124 0.245 0.064 0.067 39 1 2 97 93149.603 93149.660 0.304 0.057 0.035 42 1 2 98 92957.761 92957.673 0.061 -0.088 2.095 2 2 2 99 92965.870 92965.805 0.062 -0.065 1.094 3 2 2 100 92974.061 92973.985 0.057 -0.076 1.785 4 2 2 101 92982.335 92982.305 0.061 -0.030 0.239 5 2 2 102 93007.646 93007.562 0.057 -0.084 2.190 8 2 2 103 93016.246 93016.321 0.055 0.075 1.871 9 2 2 104 93024.926 93024.906 5.019 -0.020 0.000 10 2 2 105 93033.685 93033.733 0.053 0.048 0.805 11 2 2 106 93042.525 93042.527 0.054 0.002 0.002 12 2 2 107 93051.444 93051.319 5.017 -0.125 0.001 13 2 2 108 93069.516 93069.402 0.052 -0.114 4.834 15 2 2 109 93078.670 93078.591 5.022 -0.079 0.000 16 2 2 110 93087.900 93087.944 0.052 0.044 0.710 17 2 2 111 93097.208 93097.164 0.053 -0.044 0.675 18 2 2 112 93106.591 93106.621 0.056 0.030 0.284 19 2 2 113 93116.051 93116.014 0.053 -0.037 0.476 20 2 2 114 93125.585 93125.624 0.053 0.039 0.536 21 2 2 115 93135.195 93135.155 0.054 -0.040 0.536 22 2 2 116 93144.878 93144.818 0.054 -0.060 1.235 23 2 2 117 93154.635 93154.560 0.052 -0.075 2.084 24 2 2 118 93164.465 93164.210 5.053 -0.255 0.003 25 2 2 119 93174.368 93174.258 0.053 -0.110 4.278 26 2 2 120 93184.342 93184.356 0.053 0.014 0.070 27 2 2 121 93194.387 93194.464 0.054 0.077 2.008 28 2 2 122 93204.504 93203.655 5.307 -0.849 0.026 29 2 2 K 123 93204.504 93205.038 5.173 0.534 0.011 29 2 2 K 124 93214.690 93214.901 5.066 0.211 0.002 30 2 2 K 125 93224.945 93225.023 0.062 0.078 1.578 31 2 2 126 93235.269 93235.413 0.061 0.144 5.557 32 2 2 127 93245.661 93245.651 0.065 -0.010 0.025 33 2 2 128 93256.121 93256.237 0.065 0.116 3.203 34 2 2 129 93266.647 93266.680 0.074 0.033 0.203 35 2 2 130 93277.239 93277.194 0.071 -0.045 0.394 36 2 2 131 93287.896 93287.924 0.060 0.028 0.223 37 2 2 132 93298.617 93298.495 0.085 -0.122 2.068 38 2 2 133 93309.402 93309.219 5.118 -0.183 0.001 39 2 2 K 134 93320.251 93320.256 0.135 0.005 0.002 40 2 2 135 93331.161 93331.229 0.161 0.068 0.178 41 2 2 136 93342.133 93342.035 5.124 -0.098 0.000 42 2 2 K 137 93353.165 93353.123 0.069 -0.042 0.374 43 2 2 138 93364.257 93364.268 0.094 0.011 0.013 44 2 2 139 93375.408 93375.353 0.095 -0.055 0.339 45 2 2 140 93386.617 93386.436 0.109 -0.181 2.772 46 2 2 141 92941.947 92941.960 0.040 0.013 0.110 2 1 1 142 92946.128 92946.166 0.040 0.038 0.921 3 1 1 143 92950.392 92950.393 0.040 0.001 0.001 4 1 1 144 92954.740 92954.791 0.040 0.051 1.642 5 1 1 145 92959.171 92959.146 0.040 -0.025 0.378 6 1 1 146 92963.684 92963.650 0.040 -0.034 0.736 7 1 1 147 92968.281 92968.295 0.040 0.014 0.128 8 1 1 148 92972.960 92973.005 0.040 0.045 1.294 9 1 1 149 92977.720 92977.736 0.040 0.016 0.150 10 1 1 150 92982.563 92982.627 0.040 0.064 2.531 11 1 1 151 92987.488 92987.478 0.040 -0.010 0.061 12 1 1 152 92992.494 92992.483 0.040 -0.011 0.072 13 1 1 153 92997.581 92997.581 0.040 0.000 0.000 14 1 1 154 93002.748 93002.708 0.040 -0.040 1.018 15 1 1 155 93007.996 93008.039 0.040 0.043 1.130 16 1 1 156 93013.325 93013.311 0.040 -0.014 0.117 17 1 1 157 93018.733 93018.744 0.040 0.011 0.080 18 1 1 158 93024.220 93024.301 0.040 0.081 4.088 19 1 1 159 93029.787 93029.872 0.040 0.085 4.557 20 1 1 160 93035.432 93035.348 0.040 -0.084 4.388 21 1 1 161 93041.155 93041.214 0.040 0.059 2.154 22 1 1 162 93046.957 93046.923 0.040 -0.034 0.710 23 1 1 163 93052.836 93052.877 0.040 0.041 1.069 24 1 1 164 93058.792 93058.782 0.040 -0.010 0.058 25 1 1 165 93064.824 93064.779 0.040 -0.045 1.287 26 1 1 166 93070.933 93070.979 0.040 0.046 1.305 27 1 1 167 93077.118 93077.132 0.040 0.014 0.122 28 1 1 168 93083.378 93083.363 0.040 -0.015 0.142 29 1 1 169 93096.122 93096.095 0.040 -0.027 0.461 31 1 1 170 93102.605 93102.586 0.040 -0.019 0.231 32 1 1 171 93109.162 93109.122 0.040 -0.040 0.983 33 1 1 172 93115.791 93115.752 0.040 -0.039 0.946 34 1 1 173 92922.301 92922.314 0.040 0.013 0.101 2 -1 1 174 92918.625 92918.653 0.040 0.028 0.486 3 -1 1 175 92915.034 92915.039 0.040 0.005 0.019 4 -1 1 176 92911.527 92911.548 0.040 0.021 0.283 5 -1 1 177 92908.105 92908.087 0.040 -0.018 0.196 6 -1 1 178 92904.768 92904.719 0.040 -0.049 1.481 7 -1 1 179 92901.516 92901.506 0.040 -0.010 0.058 8 -1 1 180 92898.349 92898.364 0.040 0.015 0.146 9 -1 1 181 92895.267 92895.304 0.040 0.037 0.859 10 -1 1 182 92892.270 92892.243 0.040 -0.027 0.468 11 -1 1 183 92889.359 92889.352 0.040 -0.007 0.031 12 -1 1 184 92886.533 92886.519 0.040 -0.014 0.122 13 -1 1 185 92883.792 92883.788 0.040 -0.004 0.011 14 -1 1 186 92881.137 92881.128 0.040 -0.009 0.049 15 -1 1 187 92878.567 92878.533 0.040 -0.034 0.712 16 -1 1 188 92876.082 92876.064 0.040 -0.018 0.201 17 -1 1 189 92873.682 92873.648 0.040 -0.034 0.740 18 -1 1 190 92871.368 92871.362 0.040 -0.006 0.024 19 -1 1 191 92869.139 92869.156 0.040 0.017 0.179 20 -1 1 192 92866.995 92866.977 0.040 -0.018 0.205 21 -1 1 193 92864.936 92864.908 0.040 -0.028 0.499 22 -1 1 194 92862.962 92862.935 0.040 -0.027 0.469 23 -1 1 195 92861.073 92861.026 0.040 -0.047 1.407 24 -1 1 196 92859.269 92859.238 0.040 -0.031 0.612 25 -1 1 197 92857.550 92857.565 0.040 0.015 0.144 26 -1 1 198 92855.915 92855.902 0.040 -0.013 0.105 27 -1 1 199 92854.365 92854.357 0.040 -0.008 0.035 28 -1 1 200 92852.898 92852.900 0.040 0.002 0.002 29 -1 1 201 92851.516 92851.501 0.040 -0.015 0.146 30 -1 1 202 92850.218 92850.225 0.040 0.007 0.029 31 -1 1 203 92847.873 92847.857 0.040 -0.016 0.162 33 -1 1 204 92846.826 92846.814 0.040 -0.012 0.085 34 -1 1 205 92845.861 92845.864 0.040 0.003 0.004 35 -1 1 206 92844.980 92844.927 0.040 -0.053 1.755 36 -1 1 207 92932.618 92932.591 0.040 -0.027 0.458 9 0 1 208 92933.220 92933.145 0.040 -0.075 3.521 10 0 1 209 92934.604 92934.608 0.040 0.004 0.010 12 0 1 210 92935.386 92935.406 0.040 0.020 0.258 13 0 1 211 92936.227 92936.316 0.040 0.089 4.921 14 0 1 212 92937.129 92937.225 0.040 0.096 5.814 15 0 1 213 92939.110 92939.090 0.040 -0.020 0.249 17 0 1 214 92940.190 92940.171 0.040 -0.019 0.223 18 0 1 215 92941.329 92941.310 0.040 -0.019 0.230 19 0 1 216 92942.528 92942.532 0.040 0.004 0.011 20 0 1 217 92943.785 92943.807 0.040 0.022 0.291 21 0 1 218 92945.102 92945.120 0.040 0.018 0.199 22 0 1 219 92947.912 92947.910 0.040 -0.002 0.003 24 0 1 220 92949.405 92949.439 0.040 0.034 0.716 25 0 1 221 92952.567 92952.601 0.040 0.034 0.744 27 0 1 222 92929.989 92929.988 0.001 -0.001 0.657 1 0 0 223 92930.109 92930.109 0.001 0.000 0.141 2 0 0 224 92930.290 92930.291 0.001 0.001 0.622 3 0 0 225 92930.531 92930.532 0.001 0.001 0.490 4 0 0 226 92930.833 92930.832 0.001 -0.001 0.385 5 0 0 227 92931.194 92931.194 0.001 0.000 0.022 6 0 0 228 92931.616 92931.616 0.001 0.000 0.023 7 0 0 229 92932.098 92932.098 0.001 0.000 0.099 8 0 0 ****************************************************************************************** VALUES FOR MOLECULAR CONSTANTS FROM FIT 12C16O ISOTOPE B0 =1.9225289604 D0 =0.612109E-05 H0 =0.575365E-11 L0 =0.103405E-16 BEXE =1.9646349506 BEXF =1.9526721168 DEXE =0.655395E-05 DEXF =0.634195E-05 QEX =0.119628E-01 QD =0.211996E-06 ANUZEX =92929.928525 DEL =0.776468E-01 DELPDL =-.215313E-01 CHISQ = 229.971 NEX = 229