Pyruvic acid, v_24=3 Thu Nov 16 11:04:44 2006 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt -------------------------------------------------------------------------------------========= 1: 4 0 4 3 0 3 19970.1100 0.2494 0.100 CP1997 2: 5 0 5 4 0 4 24294.0900 0.1070 0.100 CP1997 3: 6 0 6 5 0 5 28673.4200 0.1044 0.100 CP1997 4: 8 0 8 7 0 7 37498.2200 0.0334 0.100 CP1997 5/ 36 0 36 35 0 35 161307.3471 -0.1677 0.050 6: 37 0 37 36 0 36 165727.5651 -0.0851 0.050 7: 39 0 39 38 0 38 174567.3576 -0.0584 0.050 8: 43 0 43 42 0 42 192244.7847 -0.0163 0.050 9: 44 0 44 43 0 43 196663.6746 0.0005 0.050 10: 45 0 45 44 0 44 201082.3645 0.0156 0.050 11: 46 0 46 45 0 45 205500.8688 0.0477 0.050 12: 51 0 51 50 0 50 227590.0871 0.1005 0.050 13: 52 0 52 51 0 51 232007.2416 0.0921 0.050 14/ 53 0 53 52 0 52 236424.2354 0.1568 0.050 15: 54 0 54 53 0 53 240840.8886 0.1192 0.050 16: 64 0 64 63 0 63 284993.6183 0.0192 0.050 17: 65 0 65 64 0 64 289407.3905 0.0139 0.050 18/ 70 0 70 69 0 69 311471.6198 -0.1828 0.050 ! 19: 3 1 3 2 1 2 15012.9100 -0.0091 0.100 CP1997 20: 4 1 4 3 1 3 19655.7800 0.0115 0.100 CP1997 21: 4 1 3 3 1 2 24368.2600 0.2969 0.100 CP1997 22: 5 1 5 4 1 4 24175.8500 0.0950 0.100 CP1997 23/ 5 1 4 4 1 3 29080.0600 0.5828 0.100 CP1997 24: 6 1 6 5 1 5 28634.6100 0.0515 0.100 CP1997 25: 7 1 6 6 1 5 37517.4200 0.1517 0.100 CP1997 26: 7 1 7 6 1 6 33069.0500 0.1927 0.100 CP1997 27: 8 1 8 7 1 7 37494.8900 0.0754 0.100 CP1997 28/ 35 1 34 34 1 33 161099.7651 -0.3165 0.050 29/ 36 1 35 35 1 34 165519.8240 -0.2480 0.050 30/ 37 1 36 36 1 35 169939.6473 -0.2506 0.050 31/ 38 1 37 37 1 36 174359.3623 -0.1919 0.050 32: 42 1 41 41 1 40 192036.3323 -0.0527 0.050 33: 43 1 42 42 1 41 196455.0978 -0.0224 0.050 34: 44 1 43 43 1 42 200873.6772 0.0203 0.050 35: 45 1 44 44 1 43 205292.0082 0.0177 0.050 36/ 50 1 49 49 1 48 227380.6201 0.1705 0.050 37/ 51 1 50 50 1 49 231797.6805 0.2130 0.050 38/ 52 1 51 51 1 50 236214.4495 0.1992 0.050 39/ 53 1 52 52 1 51 240631.0194 0.2261 0.050 40/ 63 1 62 62 1 61 284782.2367 0.1917 0.050 41: 64 1 63 63 1 62 289195.7111 0.0576 0.050 42/ 69 1 68 68 1 67 311258.8143 -0.3873 0.050 ! 43: 5 2 3 4 2 2 32072.7800 -0.502 UNFITTD 32073.2828 CP1997 44: 34 2 32 33 2 31 160891.3001 -3.954 UNFITTD 160895.2543 45: 35 2 33 34 2 32 165310.8993 -4.025 UNFITTD 165314.9246 46: 36 2 34 35 2 33 169730.3087 -4.140 UNFITTD 169734.4494 47: 37 2 35 36 2 34 174149.5595 -4.261 UNFITTD 174153.8210 48: 41 2 39 40 2 38 191824.8497 -4.787 UNFITTD 191829.6374 49: 42 2 40 41 2 39 196243.1914 -4.950 UNFITTD 196248.1423 50: 43 2 41 42 2 40 200661.3859 -5.069 UNFITTD 200666.4556 51: 44 2 42 43 2 41 205079.2800 -5.291 UNFITTD 205084.5717 52: 49 2 47 48 2 46 227165.6595 -6.348 UNFITTD 227172.0076 53: 50 2 48 49 2 47 231582.1973 -6.632 UNFITTD 231588.8296 54: 52 2 50 51 2 49 240414.5174 -7.251 UNFITTD 240421.7685 55: 68 2 66 67 2 65 311027.8383 -19.258 UNFITTD 311047.0966 ! 56: 33 3 30 32 3 29 160685.8665 -10.359 UNFITTD 160696.2259 57: 35 3 32 34 3 31 169522.7662 -11.211 UNFITTD 169533.9774 58: 40 3 37 39 3 36 191612.7751 -13.659 UNFITTD 191626.4348 59: 41 3 38 40 3 37 196030.2665 -14.230 UNFITTD 196044.4973 60: 42 3 39 41 3 38 200447.5382 -14.855 UNFITTD 200462.3934 61: 43 3 40 42 3 39 204864.6423 -15.472 UNFITTD 204880.1145 62: 44 3 41 43 3 40 209281.4672 -16.185 UNFITTD 209297.6526 63: 45 3 42 44 3 41 213698.0840 -16.915 UNFITTD 213715.0000 64: 46 3 43 45 3 42 218114.3638 -17.785 UNFITTD 218132.1495 65: 48 3 45 47 3 44 226946.1571 -19.670 UNFITTD 226965.8276 66: 50 3 47 49 3 46 235776.5994 -22.035 UNFITTD 235798.6351 67: 51 3 48 50 3 47 240191.2076 -23.489 UNFITTD 240214.6970 68: 61 3 58 60 3 57 284319.5478 -41.907 UNFITTD 284361.4552 ! 69: 32 4 28 31 4 27 160489.2001 -19.244 UNFITTD 160508.4443 70: 34 4 30 33 4 29 169322.5572 -20.393 UNFITTD 169342.9511 71: 39 4 35 38 4 34 191403.4146 -26.268 UNFITTD 191429.6830 72: 40 4 36 39 4 35 195819.3491 -27.526 UNFITTD 195846.8759 73: 41 4 37 40 4 36 200235.0539 -28.914 UNFITTD 200263.9682 74: 42 4 38 41 4 37 204650.5682 -30.375 UNFITTD 204680.9434 75: 43 4 39 42 4 38 209065.7410 -32.045 UNFITTD 209097.7865 76: 44 4 40 43 4 39 213480.7461 -33.738 UNFITTD 213514.4841 77: 45 4 41 44 4 40 217895.1914 -35.832 UNFITTD 217931.0239 78: 48 4 44 47 4 43 231137.5547 -42.032 UNFITTD 231179.5870 79: 60 4 56 59 4 55 284066.5088 -87.419 UNFITTD 284153.9279 ! 80: 33 5 28 32 5 27 169135.4412 -33.511 UNFITTD 169168.9526 81: 34 5 29 33 5 28 173548.7012 -34.705 UNFITTD 173583.4065 82: 39 5 34 38 5 33 195614.6988 -44.767 UNFITTD 195659.4661 83: 40 5 35 39 5 34 200028.0569 -46.966 UNFITTD 200075.0231 84: 42 5 37 41 5 36 208853.5553 -52.597 UNFITTD 208906.1524 85: 43 5 38 42 5 37 213265.7031 -55.962 UNFITTD 213321.6656 ! 86: 33 6 27 32 6 26 173383.6428 -50.104 UNFITTD 173433.7469 87: 37 6 31 36 6 30 191014.5467 -62.122 UNFITTD 191076.6689 88: 38 6 32 37 6 31 195423.2320 -65.709 UNFITTD 195488.9417 89: 40 6 34 39 6 33 204241.5127 -73.052 UNFITTD 204314.5650 90: 41 6 35 40 6 34 208650.1648 -77.597 UNFITTD 208727.7618 91: 45 6 39 44 6 38 226284.2760 -97.514 UNFITTD 226381.7909 -------------------------------------------------------------------------------------========= 49 Lines rejected from fit CONSTANTS IN FIT: 10000 A /MHz 5534.723(95) 1 20000 B /MHz 3549.126(37) 2 30000 C /MHz 2211.60899(42) 3 200 DJ /kHz 0.80009(96) 4 1100 DJK /kHz [-0.779] 5 2000 DK /kHz [ 1.494] 6 40100 dJ /kHz 0.30773(50) 7 41000 dK /kHz [ 0.553] 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz [ 0.] 15 MICROWAVE AVG = 0.038694 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.178970 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 2.93051 2.93051 distinct frequency lines in fit: 42 distinct constants in fit: 5 for standard errors previous errors are multiplied by: 3.122245 CONSTANTS IN FIT WITH STANDARD ERRORS ON FITTED CONSTANTS: 10000 A /MHz 5534.72(29) 1 20000 B /MHz 3549.12(11) 2 30000 C /MHz 2211.6089(13) 3 200 DJ /kHz 0.8000(29) 4 1100 DJK /kHz [-0.779] 5 2000 DK /kHz [ 1.494] 6 40100 dJ /kHz 0.3077(15) 7 41000 dK /kHz [ 0.553] 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz [ 0.] 15 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -dJ A 1.0000 B -0.8988 1.0000 C -0.2256 -0.1066 1.0000 -DJ -0.2170 -0.1385 0.4206 1.0000 -dJ -0.2215 -0.1390 0.4569 0.9990 0.0000 Mean value of |C.ij|, i.ne.j = 0.3823 Mean value of C.ij, i.ne.j = -0.0071 Worst fitting lines (obs-calc/error): 42: -7.7 28: -6.3 23: 5.8 30: -5.0 29: -5.0 39: 4.5 37: 4.3 38: 4.0 31: -3.8 40: 3.8 18: -3.7 36: 3.4 5: -3.4 14: 3.1 21: 3.0 1: 2.5 15: 2.4 12: 2.0 26: 1.9 13: 1.8 6: -1.7 25: 1.5 7: -1.2 41: 1.2 2: 1.1 32: -1.1 3: 1.0 11: 1.0 22: 0.9 27: 0.8 24: 0.5 33: -0.4 34: 0.4 16: 0.4 35: 0.4 4: 0.3 8: -0.3 10: 0.3 17: 0.3 20: 0.1 19: -0.1 9: 0.0 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM