ASFIT version 3b.XII.2004 _______________________________________________________________________________ Acetone, AA lines extracted from Astr.J.Suppl.Series 142,145(2002) _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 10186.2451230835558817489 +- 0.0011879015297070771 B = 8519.9492544065833499189 +- 0.0009993501247545923 C = 4910.1252972459833472385 +- 0.0006167927514592421 DJ = 0.0054253201848992417 +- 0.0000037041419863701 DJK = 0.0105183821594517970 +- 0.0000189981447135329 DK = 0.0203374976687753159 +- 0.0000199772164654667 dJ = 0.0023254395250383347 +- 0.0000018669721603183 dK = 0.0078887361892213317 +- 0.0000080506285313275 HJK = 0.0000036828037064613 +- 0.0000000479270067210 HKJ = 0.0000074762510755092 +- 0.0000001342203604218 HK = 0.0000005450601704373 +- 0.0000000962342252478 hJK = 0.0000018848075073434 +- 0.0000000242379556101 hK = 0.0000082873223745564 +- 0.0000000306380153275 LJK = -0.0000000023954451753 +- 0.0000000000174201065 lKJ = -0.0000000011910717752 +- 0.0000000000090920289 lK = -0.0000000023700648726 +- 0.0000000000285025070 Deviation of fit = 0.203128 Weighted deviation of fit = 1.267114 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ 1. 3 2 1 3 1 2 10762.7090 0.0021 0.0100 2. 3 3 0 3 2 1 11199.2800 -0.0060 0.0300 3. 2 1 1 2 0 2 11286.1440 0.0019 0.0040 4. 1 1 1 0 0 0 15096.3300 -0.0024 0.0040 5. 2 2 1 2 1 2 15827.7380 0.0027 0.0040 6. 6 4 2 6 3 3 16321.2600 -0.0058 0.0300 7. 4 4 0 4 3 1 16689.8300 -0.0031 0.0100 8. 5 3 2 5 2 3 16943.5400 0.0126 0.0100 9. 7 5 2 7 4 3 17606.0400 -0.0028 0.0300 10. 3 3 1 3 2 2 18580.9800 -0.0040 0.0300 11. 4 2 2 4 1 3 18667.5850 0.0029 0.0080 12. 3 1 2 3 0 3 20454.9210 0.0074 0.0080 13. 8 6 2 8 5 3 21206.6900 0.0122 0.0300 14. 9 6 3 9 5 4 21631.1590 -0.0052 0.0080 15. 8 5 3 8 4 4 21951.4670 -0.0074 0.0080 16. 3 2 2 3 1 3 22468.8700 -0.0045 0.0300 17. 2 0 2 1 1 1 22793.2790 -0.0044 0.0080 18. 5 5 0 5 4 1 23231.5600 -0.0023 0.0300 19. 4 3 2 4 2 3 23549.0300 0.0090 0.0300 20. 2 1 2 1 0 1 24916.4910 -0.0041 0.0080 21. 11 7 4 11 6 5 26658.7570 -0.0068 0.0500 22. 5 5 1 5 4 2 26772.7500 -0.0013 0.0300 23. 12 8 4 12 7 5 26975.2300 -0.0016 0.2000 24. 9 7 2 9 6 3 27021.2000 0.0198 0.0300 25. 6 5 2 6 4 3 28329.3100 0.0297 0.1000 26. 10 6 4 10 5 5 28596.7800 -0.0200 0.0500 27. 4 1 3 4 0 4 29951.0900 0.0232 0.0500 28. 6 6 0 6 5 1 30000.6400 -0.0135 0.0500 29. 4 2 3 4 1 4 30485.7000 0.0382 0.0500 30. 5 3 3 5 2 4 30582.7400 0.0233 0.0500 31. 6 4 3 6 3 4 31101.9780 -0.0115 0.0500 32. 14 9 5 14 8 6 31306.6740 -0.0999 0.0500 33. 9 5 4 9 4 5 31723.5900 0.0144 0.0500 34. 4 2 3 3 3 0 31767.2600 -0.0219 0.0500 35. 7 5 3 7 4 4 32309.7500 0.0170 0.2000 36. 8 7 1 8 6 2 32641.5600 0.0750 0.0500 37. 13 8 5 13 7 6 32837.3350 0.0116 0.0500 38. 3 0 3 2 1 2 33566.2800 -0.0302 0.0300 39. 3 1 3 2 0 2 34105.1800 -0.0004 0.0300 40. 10 8 2 10 7 3 34304.5900 0.0301 0.0500 41. 8 6 3 8 5 4 34410.6000 -0.1303 0.0500 42. 8 4 4 8 3 5 34802.2600 -0.0093 0.0500 43.E 12 9 3 12 8 4 35274.8100 0.0230 1.0000--excl 44. 2 2 1 1 1 0 35468.1800 0.0031 0.0300 45.E 12 7 5 12 6 6 36179.7500 -0.0326 1.0000--excl 46. 7 7 0 7 6 1 36541.0500 -0.0530 0.0500 47. 8 7 2 8 6 3 36742.4500 -0.0310 0.1000 48. 7 3 4 7 2 5 37029.0000 -0.0221 0.0500 49. 3 1 2 2 2 1 38193.5100 0.0214 0.0500 50. 8 5 4 8 4 5 38652.4100 0.0900 0.0500 51. 6 3 4 6 2 5 38792.2470 -0.0241 0.0500 52. 5 1 4 5 0 5 38950.9800 0.0270 0.2000 53. 9 6 4 9 5 5 39250.1000 0.0552 0.2000 54. 8 3 6 7 4 3 39516.1600 -0.0557 0.0500 55. 9 8 1 9 7 2 39773.3400 0.0078 0.0500 56. 11 6 5 11 5 6 40008.6400 -0.0110 0.0500 57. 3 3 0 3 0 3 42416.9000 -0.0066 0.0500 58. 14 0 14 13 1 13 141835.9300 -0.0470 0.1000 59. 22 6 16 22 5 17 142114.9000 0.1170 0.1000 60. 21 5 16 21 4 17 142536.4500 0.0025 0.1000 61. 20 4 16 20 3 17 142906.2000 -0.0468 0.1000 62. 19 3 16 19 2 17 143229.3300 -0.0722 0.1000 63. 18 2 16 18 1 17 143510.6300 -0.0173 0.1000 64. 17 1 16 17 0 17 143754.3500 0.0552 0.1000 65. 15 7 8 14 8 7 212727.2800 -0.0346 0.1000 66. 27 3 24 27 2 25 212879.3000 -0.1162 0.1000 67. 26 2 24 26 1 25 213168.3300 -0.0626 0.1000 68. 16 6 10 15 7 9 214112.8800 -0.0685 0.1000 69. 16 7 10 15 6 9 214154.1000 -0.0497 0.1000 70. 17 5 12 16 6 11 214986.6200 0.0396 0.1000 71. 17 6 12 16 5 11 214986.6200 -0.2751 0.1000 72. 18 4 14 17 5 13 216000.4400 -0.0220 0.1000 73. 19 3 16 18 4 15 217070.4500 -0.0663 0.1000 74. 20 2 18 19 3 17 218162.9100 -0.0393 0.1000 75. 22 0 22 21 1 21 220368.3000 -0.0795 0.1000 76. 29 4 25 29 3 26 221258.7800 -0.0708 0.1000 77.E 11 7 4 10 6 5 221436.2300 -0.0663 1.0000--excl 78. 28 3 25 28 2 26 221573.1300 -0.0897 0.1000 79. 27 2 25 27 1 26 221865.6100 -0.0490 0.1000 80. 19 8 11 18 9 10 261271.2900 -0.1558 0.1000 81. 19 9 11 18 8 10 261367.4100 -0.0060 0.1000 82. 13 13 1 12 12 0 261602.5000 0.0573 0.1000 83. 13 13 0 12 12 1 261602.5000 -0.1063 0.1000 84.E 20 7 13 19 8 12 261986.0800 1.0071 1.0000--excl 85.E 20 8 13 19 7 12 261986.0800 -0.0277 1.0000--excl 86. 21 6 15 20 7 14 262914.6700 0.0588 0.1000 87. 22 5 17 21 6 16 263943.7400 -0.0151 0.1000 88. 23 4 19 22 5 18 265017.3100 0.0403 0.1000 89. 24 3 21 23 4 20 266112.0100 -0.0010 0.1000 90. 25 2 23 24 3 22 267217.1200 0.0543 0.1000 91. 26 1 25 25 2 24 268326.9100 0.2387 0.1000 92. 27 0 27 26 1 26 269437.3800 0.0189 0.1000 93. 14 12 3 13 11 2 269973.3100 -0.0997 0.1000 94. 14 12 2 13 11 3 270082.2500 0.0420 0.1000 95.E 19 9 10 18 10 9 270193.9500 -1.1055 1.0000--excl 96. 20 8 12 19 9 11 270950.5700 0.1193 0.1000 97. 20 9 12 19 8 11 270970.6900 0.0783 0.1000 98.E 19 10 10 18 9 9 271347.2100 0.0498 1.0000--excl 99. 21 7 14 20 8 13 271734.2900 -0.0143 0.1000 100. 22 6 16 21 7 15 272698.4600 0.1118 0.1000 101. 23 5 18 22 6 17 273741.1800 -0.0272 0.1000 102. 24 4 20 23 5 19 274821.0700 0.1190 0.1000 103. 25 3 22 24 4 21 275918.9800 -0.0375 0.1000 104. 14 13 2 13 12 1 276003.9400 -0.0003 0.1000 105. 14 13 1 13 12 2 276007.5300 -0.0885 0.1000 106. 26 2 24 25 3 23 277026.3200 0.1002 0.1000 107. 27 1 26 26 2 25 278137.5300 0.0449 0.1000 108. 28 0 28 27 1 27 279249.5100 -0.1093 0.1000 109.E 20 9 11 19 10 10 280042.5500 -0.0063 1.0000--excl 110.E 20 10 11 19 9 10 280330.1500 0.0426 1.0000--excl 111. 21 8 13 20 9 12 280645.6500 -0.0980 0.1000 112. 21 9 13 20 8 12 280649.6400 -0.0698 0.1000 113. 22 7 15 21 8 14 281494.9200 0.0570 0.1000 114. 14 14 1 13 13 0 281910.0300 0.0103 0.1000 115. 14 14 0 13 13 1 281910.0300 -0.0416 0.1000 116. 23 6 17 22 7 16 282485.1800 -0.0222 0.1000 117. 24 5 19 23 6 18 283539.1500 -0.0322 0.1000 118. 15 12 3 14 11 4 284605.0900 0.0222 0.1000 119. 25 4 21 24 5 20 284624.2700 -0.0460 0.1000 120. 26 3 23 25 4 22 285725.3800 -0.0722 0.1000 121. 27 2 25 26 3 24 286834.7400 -0.0115 0.1000 122. 28 1 27 27 2 26 287947.6700 -0.0278 0.1000 123. 29 0 29 28 1 28 289061.2600 -0.0608 0.1000 124. 15 13 2 14 12 3 290379.5500 0.0380 0.1000 125. 24 6 18 23 7 17 292274.1000 -0.0723 0.1000 126.E 15 14 2 14 13 1 296314.7800 1.3540 1.0000--excl 127. 15 14 1 14 13 2 296314.7800 0.0919 0.1000 128. 28 2 26 27 3 25 296642.7100 0.0741 0.1000 129. 29 1 28 28 2 27 297757.4300 0.1405 0.1000 130. 30 0 30 29 1 29 298872.4000 -0.0465 0.1000 131.? 22 10 13 21 9 12 299368.5400 0.3538 0.1000 >3*Err 132. 23 9 15 22 8 14 300099.0300 0.0507 0.1000 133.E 24 7 17 23 8 16 301036.8400 -0.5329 1.0000--excl 134. 25 6 19 24 7 18 302064.4200 -0.1249 0.1000 135. 15 15 1 14 14 0 302208.8400 -0.0345 0.1000 136. 15 15 0 14 14 1 302208.8400 -0.0508 0.1000 137. 26 5 21 25 6 20 303135.5300 -0.0203 0.1000 138. 27 4 23 26 5 22 304229.7900 0.0888 0.1000 139. 28 3 25 27 4 24 305336.3500 -0.0895 0.1000 140. 29 2 27 28 3 26 306449.9100 0.0608 0.1000 141. 30 1 29 29 2 28 307566.3800 0.1397 0.1000 142.E 22 10 12 21 11 11 308505.3900 -0.5181 1.0000--excl 143. 31 0 31 30 1 30 308683.1000 0.1223 0.1000 144.? 22 11 12 21 10 11 308700.5600 0.3485 0.1000 >3*Err 145. 23 9 14 22 10 13 309031.2400 0.0699 0.1000 146. 24 8 16 23 9 15 309847.1400 0.1164 0.1000 147. 16 14 3 15 13 2 310668.4700 0.1507 0.1000 148. 16 14 2 15 13 3 310683.8800 0.1236 0.1000 149. 25 7 18 24 8 17 310815.2700 -0.0298 0.1000 150. 26 6 20 25 7 19 311855.9400 0.1413 0.1000 151. 27 5 22 26 6 21 312933.4300 -0.1015 0.1000 152. 30 2 28 29 3 27 316256.3400 -0.0286 0.1000 153. 16 15 2 15 14 1 316613.0600 0.2267 0.1000 154. 16 15 1 15 14 2 316613.0600 -0.2001 0.1000 155. 27 7 20 26 8 19 330378.2300 -0.2812 0.1000 156. 17 15 3 16 14 2 330978.2800 -0.1872 0.1000 157. 17 15 2 16 14 3 330984.0100 -0.0805 0.1000 158. 28 6 22 27 7 21 331439.7200 0.2383 0.1000 159. 29 5 24 28 6 23 332528.4300 0.0654 0.1000 160. 30 4 26 29 5 25 333633.3700 0.0258 0.1000 161. 31 3 28 30 4 27 334747.7500 0.0537 0.1000 162. 32 2 30 31 3 29 335867.3300 0.0939 0.1000 163. 17 16 2 16 15 1 336902.6900 -0.0731 0.1000 164. 17 16 1 16 15 2 336902.6900 -0.2157 0.1000 165. 24 11 13 23 12 12 336941.6900 0.0081 0.1000 166. 33 1 32 32 2 31 336988.8800 -0.1707 0.1000 167. 24 12 13 23 11 12 337071.6800 -0.0968 0.1000 168. 25 10 15 24 11 14 337406.5200 0.2450 0.1000 169.? 25 11 15 24 10 14 337408.4700 0.3338 0.1000 >3*Err 170. 34 0 34 33 1 33 338110.6000 -0.2155 0.1000 171. 26 9 17 25 10 16 338190.5100 0.0820 0.1000 172. 27 8 19 26 9 18 339136.2600 -0.0838 0.1000 173. 28 7 21 27 8 20 340162.3000 -0.0278 0.1000 174. 29 6 23 28 7 22 341231.4300 0.0498 0.1000 175. 30 5 25 29 6 24 342325.0400 0.0338 0.1000 176. 17 17 1 16 16 0 342779.8900 -0.0487 0.1000 177. 17 17 0 16 16 1 342779.8900 -0.0503 0.1000 178. 31 4 27 30 5 26 343433.0900 -0.0688 0.1000 179.E 19 17 3 18 16 2 371559.5000 0.4942 1.0000--excl 180.E 19 17 2 18 16 3 371559.5000 -0.2149 1.0000--excl 181. 38 0 38 37 1 37 377338.3700 -0.0948 0.1000 182. 19 18 2 18 17 1 377455.2500 0.1178 0.1000 183. 19 18 1 18 17 2 377455.2500 0.1023 0.1000 184. 19 19 1 18 18 0 383315.3000 0.0935 0.1000 185. 19 19 0 18 18 1 383315.3000 0.0934 0.1000 186. 35 5 30 34 6 29 391297.4900 -0.0617 0.1000 187.E 20 18 3 19 17 2 391833.3100 0.0533 1.0000--excl 188.E 20 18 2 19 17 3 391833.3100 -0.1932 1.0000--excl 189. 20 19 2 19 18 1 397717.9200 0.0410 0.1000 190. 20 19 1 19 18 2 397717.9200 0.0360 0.1000 191. 38 3 35 37 4 34 403345.6300 -0.0465 0.1000 192. 20 20 1 19 19 0 403569.5300 -0.0024 0.1000 193. 20 20 0 19 19 1 403569.5300 -0.0025 0.1000 194. 40 1 39 39 2 38 405616.2100 0.0157 0.1000 195. 38 4 34 37 5 33 412008.2700 -0.0744 0.1000 196.E 21 19 3 20 18 2 412097.9500 0.0289 1.0000--excl 197.E 21 19 2 20 18 3 412097.9500 -0.0558 1.0000--excl 198. 21 20 2 20 19 1 417971.8400 -0.0404 0.1000 199. 21 20 1 20 19 2 417971.8400 -0.0420 0.1000 200. 21 21 1 20 20 0 423815.1200 -0.0322 0.1000 201. 21 21 0 20 20 1 423815.1200 -0.0322 0.1000 202. 43 0 43 42 1 42 426355.9800 -0.1331 0.1000 203.? 44 6 38 43 7 37 488028.6400 -0.7081 0.2000 >3*Err 204.? 34 17 17 33 18 16 488355.0100 -0.6539 0.2000 >3*Err 205.E 34 18 17 33 17 16 488531.8000 -1.2346 1.0000--excl 206. 36 15 21 35 16 20 488708.0300 -0.2549 0.2000 207. 45 5 40 44 6 39 489171.6300 0.0740 0.2000 208.? 37 14 23 36 15 22 489421.6500 -0.7624 0.2000 >3*Err 209.? 38 13 25 37 14 24 490294.0700 0.6198 0.2000 >3*Err 210. 46 4 42 45 5 41 490320.7700 0.2952 0.2000 211. 39 12 27 38 13 26 491258.0500 -0.0085 0.2000 212. 47 3 44 46 4 43 491473.8200 -0.3883 0.2000 213. 40 11 29 39 12 28 492281.9600 0.0310 0.2000 214. 48 2 46 47 3 45 492631.3500 0.4393 0.2000 215. 41 10 31 40 11 30 493345.1400 -0.0843 0.2000 216. 49 1 48 48 2 47 493789.0400 0.4359 0.2000 217. 42 9 33 41 10 32 494435.8300 -0.0620 0.2000 218. 50 0 50 49 1 49 494944.5800 -0.4429 0.2000 219. 43 8 35 42 9 34 495546.4500 0.1497 0.2000 220. 44 7 37 43 8 36 496671.1600 -0.2577 0.2000 221. 45 6 39 44 7 38 497807.8400 0.0727 0.2000 222. 37 15 22 36 16 21 498348.5100 -0.3851 0.2000 223.E 25 24 2 24 23 1 498904.2700 -0.1256 1.0000--excl 224.E 25 24 1 24 23 2 498904.2700 -0.1256 1.0000--excl 225. 46 5 41 45 6 40 498953.0900 0.2992 0.2000 226. 38 14 24 37 15 23 499118.1800 0.4941 0.2000 227. 39 13 26 38 14 25 500018.8200 0.0027 0.2000 228. 47 4 43 46 5 42 500103.9300 -0.5056 0.2000 229. 40 12 28 39 13 27 501000.7800 -0.3591 0.2000 230. 48 3 45 47 4 44 501261.0000 0.1295 0.2000 231. 41 11 30 40 12 29 502036.1900 0.1054 0.2000 232. 49 2 47 48 3 46 502419.9600 -0.3118 0.2000 233. 42 10 32 41 11 31 503106.5200 -0.2298 0.2000 234. 50 1 49 49 2 48 503580.6500 -0.0008 0.2000 235. 43 9 34 42 10 33 504202.8200 0.1464 0.2000 236.E 25 25 1 24 24 0 504714.4400 0.0427 1.0000--excl 237.E 25 25 0 24 24 1 504714.4400 0.0427 1.0000--excl 238. 51 0 51 50 1 50 504739.6500 -0.0520 0.2000 239. 44 8 36 43 9 35 505317.0900 -0.0367 0.2000 240. 45 7 38 44 8 37 506445.5500 -0.0566 0.2000 241. 37 16 21 36 17 20 507385.0400 0.0883 0.2000 242. 37 17 21 36 16 20 507385.0400 -0.0692 0.2000 243.E 26 23 4 25 22 3 507426.1800 -0.9791 1.0000--excl 244.E 26 23 3 25 22 4 507426.1800 -0.9940 1.0000--excl 245. 46 6 40 45 7 39 507585.0700 0.1167 0.2000 246. 38 15 23 37 16 22 508007.9200 0.4637 0.2000 247. 47 5 42 46 6 41 508732.4000 -0.3976 0.2000 248. 39 14 25 38 15 24 508820.5900 -0.5178 0.2000 249. 48 4 44 47 5 43 509887.0300 -0.1670 0.2000 250. 41 12 29 40 13 28 510745.0800 -0.3589 0.2000 251. 49 3 46 48 4 45 511045.9900 -0.3861 0.2000 252. 42 11 31 41 12 30 511790.7500 0.5013 0.2000 253. 50 2 48 49 3 47 512208.5400 0.0120 0.2000 254.? 43 10 33 42 11 32 512868.4900 0.8520 0.2000 >3*Err 255.E 26 24 3 25 23 2 513290.0700 -0.9428 1.0000--excl 256.E 26 24 2 25 23 3 513290.0700 -0.9431 1.0000--excl 257. 51 1 50 50 2 49 513371.9400 0.2911 0.2000 258. 44 9 35 43 10 34 513968.8400 0.3659 0.2000 259. 52 0 52 51 1 51 514533.5500 0.1597 0.2000 260.E 45 8 37 44 9 36 515087.9400 1.1445 1.0000--excl 261. 44 18 26 43 19 25 592726.0000 0.1445 0.2000 262. 60 0 60 59 1 59 592844.8900 -0.0683 0.2000 263. 53 8 45 52 9 44 593197.1100 -0.0240 0.2000 264. 45 17 28 44 18 27 593477.6100 0.1745 0.2000 265.E 30 28 3 29 27 2 594106.1900 2.1872 1.0000--excl 266.E 30 28 2 29 27 3 594106.1900 2.1872 1.0000--excl 267. 46 16 30 45 17 29 594351.1200 -0.2512 0.2000 268. 54 7 47 53 8 46 594353.6100 0.0056 0.2000 269. 47 15 32 46 16 31 595306.1200 0.0942 0.2000 270. 55 6 49 54 7 48 595519.3200 -0.2440 0.2000 271. 48 14 34 47 15 33 596316.5400 0.2102 0.2000 272. 56 5 51 55 6 50 596693.5200 -0.1203 0.2000 273.E 31 26 6 30 25 5 596702.9200 -6.4339 1.0000--excl 274.E 31 26 5 30 25 6 596702.9200 -6.4991 1.0000--excl 275. 49 13 36 48 14 35 597366.1900 -0.3358 0.2000 276. 57 4 53 56 5 52 597874.7000 0.2477 0.2000 277. 50 12 38 49 13 37 598446.6100 0.2265 0.2000 278. 58 3 55 57 4 54 599060.5100 0.0508 0.2000 279. 51 11 40 50 12 39 599549.1600 0.0694 0.2000 280.E 30 29 2 29 28 1 599900.6300 5.1886 1.0000--excl 281.E 30 29 1 29 28 2 599900.6300 5.1886 1.0000--excl 282. 59 2 57 58 3 56 600250.2600 0.4418 0.2000 283.E 52 10 42 51 11 41 600671.1400 1.1295 1.0000--excl 284.E 43 20 23 42 21 22 601387.7100 0.3245 1.0000--excl 285. 60 1 59 59 2 58 601440.5900 0.3440 0.2000 286. 44 19 25 43 20 24 601735.4800 -0.1074 0.2000 287. 53 9 44 52 10 43 601806.1000 0.1854 0.2000 288. 45 18 27 44 19 26 602361.2900 0.3704 0.2000 289. 54 8 46 53 9 45 602954.8600 0.3764 0.2000 290. 46 17 29 45 18 28 603153.2800 0.2622 0.2000 291. 47 16 31 46 17 30 604051.8300 -0.1266 0.2000 292. 55 7 48 54 8 47 604113.5700 -0.3957 0.2000 293. 48 15 33 47 16 32 605022.4100 -0.3695 0.2000 294.? 56 6 50 55 7 49 605283.6700 0.7422 0.2000 >3*Err 295.E 30 30 1 29 29 0 605672.0100 7.4548 1.0000--excl 296.E 30 30 0 29 29 1 605672.0100 7.4548 1.0000--excl 297. 49 14 35 48 15 34 606043.7000 -0.3060 0.2000 298. 57 5 52 56 6 51 606459.8600 -0.2008 0.2000 299. 50 13 37 49 14 36 607102.1400 0.2176 0.2000 300. 58 4 54 57 5 53 607643.8200 -0.1962 0.2000 301. 51 12 39 50 13 38 608187.1800 -0.3361 0.2000 302.E 31 28 4 30 27 3 608476.3400 0.6266 1.0000--excl 303.E 31 28 3 30 27 4 608476.3400 0.6265 1.0000--excl 304. 59 3 56 58 4 55 608832.8900 -0.3687 0.2000 305. 52 11 41 51 12 40 609294.5100 -0.2181 0.2000 306. 60 2 58 59 3 57 610025.8900 -0.0364 0.2000 307. 53 10 43 52 11 42 610419.5500 0.1473 0.2000 ------------------------------------------------------------------------------------------------------ Sigma = 0.203128 267 Distinct lines in fit Sigma.w = 1.267114 251 Degrees of freedom A /MHz 10186.2451(11) LJK /mHz -2.395(17) B /MHz 8519.94925(99) LKKJ/mHz 0.0 C /MHz 4910.12529(61) LK /mHz 0.0 DJ /kHz 5.4253(37) lJ /mHz 0.0 DJK /kHz 10.518(18) lJK /mHz 0.0 DK /kHz 20.337(19) lKJ /mHz -1.1910(90) dJ /kHz 2.3254(18) lK /mHz -2.370(28) dK /kHz 7.8887(80) PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz 3.682(47) PJK /microHz 0.0 HKJ / Hz 7.47(13) PKJ /microHz 0.0 HK / Hz 0.545(96) PKKJ /microHz 0.0 hJ / Hz 0.0 PK /microHz 0.0 hJK / Hz 1.884(24) pJ /microHz 0.0 hK / Hz 8.287(30) pJJK /microHz 0.0 LJ /mHz 0.0 pJK /microHz 0.0 LJJK/mHz 0.0 pKKJ /microHz 0.0 pK /microHz 0.0 CORRELATION COEFFICIENTS, C.ij: A B C DJ DJK DK dJ dK A 1.0000 B 0.5795 1.0000 C 0.5579 0.5508 1.0000 DJ -0.0816 0.4581 -0.0699 1.0000 DJK 0.3464 -0.0700 0.1524 -0.7466 1.0000 DK -0.0620 0.0896 -0.0239 0.5584 -0.8724 1.0000 dJ -0.1110 0.4288 -0.1221 0.9972 -0.7496 0.5515 1.0000 dK 0.1344 0.1919 -0.2697 0.2439 0.3321 -0.3787 0.2518 1.0000 HJK -0.0760 0.2378 -0.1646 0.6337 -0.3138 0.1775 0.6392 0.5066 HKJ 0.1811 -0.1556 0.1629 -0.5991 0.4249 -0.2356 -0.6075 -0.2938 HK -0.1387 0.1411 -0.1287 0.5733 -0.4770 0.3609 0.5784 0.1981 hJK -0.0988 0.2187 -0.2025 0.6381 -0.3225 0.1763 0.6481 0.5185 hK 0.2288 -0.0358 -0.0521 -0.2345 0.3804 -0.1098 -0.2483 0.4403 LJK -0.1740 -0.1914 0.0591 -0.3279 0.0422 -0.2071 -0.3156 -0.5127 lKJ -0.0760 -0.1162 0.2189 -0.3623 0.0861 -0.2071 -0.3693 -0.6156 lK -0.1181 -0.0903 0.0150 -0.1780 0.0299 -0.1987 -0.1545 -0.3596 HJK HKJ HK hJK hK LJK lKJ lK HJK 1.0000 HKJ -0.9488 1.0000 HK 0.9115 -0.9800 1.0000 hJK 0.9970 -0.9487 0.9075 1.0000 hK -0.1800 0.4409 -0.4384 -0.1930 1.0000 LJK -0.6579 0.4564 -0.4867 -0.6303 -0.4768 1.0000 lKJ -0.7444 0.5534 -0.5602 -0.7456 -0.4234 0.9081 1.0000 lK -0.4813 0.3292 -0.3812 -0.4375 -0.5150 0.9124 0.7207 1.0000 Mean value of |C.ij|, i.ne.j = 0.3744 Mean value of C.ij, i.ne.j = -0.0065 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 5 <0.05 ***** 12 <0.10 ************ 9 <0.15 ********* 16 <0.20 **************** 11 <0.25 *********** 3 <0.30 *** 7 <0.35 ******* 7 <0.40 ******* 7 <0.45 ******* 6 <0.50 ****** 4 <0.55 **** 10 <0.60 ********** 7 <0.65 ******* 1 <0.70 * 5 <0.75 ***** 0 <0.80 0 <0.85 1 <0.90 * 6 <0.95 ****** 3 <1.00 *** _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0599 WORST FITTING LINES (line number=(o-c)/error): 254= 4.3 208= -3.8 294= 3.7 203= -3.5 131= 3.5 144= 3.5 169= 3.3 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