Pyrimidine, 13C(4), Valladolid data, S-IIIl Wed Apr 06 23:53:51 2016 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 3 3 1 2 2 0 34472.0200 0.0300 0.050 2: 5 1 5 4 0 4 33560.6000 -0.1053 0.050 3/ 6 1 6 5 0 5 39662.4900 0.2303 0.050 4: 5 5 0 4 4 1 63300.1900 -0.0161 0.050 5: 5 5 1 4 4 0 60070.8500 -0.0175 0.050 6: 6 6 0 5 5 1 75343.1700 -0.0565 0.050 7: 6 6 1 5 5 0 72923.1000 -0.0111 0.050 8: 6 5 2 5 4 1 66349.0000 -0.0721 0.050 9: 7 4 4 6 3 3 64151.0800 0.0098 0.050 10: 7 3 4 6 4 3 64062.0100 -0.0483 0.050 11: 7 5 3 6 4 2 71099.5400 0.0473 0.050 12: 14 13 1 14 12 2 17435.0890 -0.0098 0.010 13: 15 12 3 15 11 4 16038.8110 0.0052 0.010 14: 16 16 0 16 15 1 28266.6700 -0.0905 0.050 15: 16 16 1 16 15 2 28550.2800 -0.0129 0.050 16: 17 17 0 17 16 1 30308.3700 0.0027 0.050 17/ 17 17 1 17 16 2 30489.6700 0.1643 0.050 18/ 18 18 0 18 17 1 32327.3000 0.1862 0.050 19: 18 18 1 18 17 2 32441.4200 0.1292 0.050 20: 19 19 0 19 18 1 34329.8800 0.1313 0.050 21: 19 19 1 19 18 2 34400.8500 -0.0468 0.050 22: 20 20 0 20 19 1 36321.1700 -0.0124 0.050 23: 20 20 1 20 19 2 36364.9500 -0.1297 0.050 24: 21 21 0 21 20 1 38304.7700 -0.0846 0.050 25: 21 21 1 21 20 2 38331.6500 -0.0540 0.050 26: 21 20 1 21 19 2 33802.8000 0.0335 0.050 27: 21 20 2 21 19 3 34275.2900 0.1110 0.050 28/ 22 21 1 22 20 2 35917.2100 0.1667 0.050 29: 22 21 2 22 20 3 36227.4700 -0.0855 0.050 30: 23 22 1 23 21 2 37994.2600 -0.1429 0.050 31: 23 22 2 23 21 3 38195.7200 -0.0133 0.050 32: 24 22 3 24 21 4 35895.2500 -0.0519 0.050 33: 24 22 2 24 21 3 34459.2100 0.1204 0.050 34: 25 23 2 25 22 3 36803.4200 0.0818 0.050 35: 25 23 3 25 22 4 37801.0800 -0.0102 0.050 36: 26 24 2 26 23 3 39066.4300 -0.0962 0.050 37: 26 24 3 26 23 4 39746.8100 -0.0312 0.050 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6256.1023(17) 1 20000 B /MHz 5957.2310(18) 2 30000 C /MHz 3050.8460(37) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.445(20) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.00476(24) 7 50000 d2 /kHz 0.014851(85) 8 MICROWAVE AVG = 0.006772 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.092370 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.85608 1.85608 distinct frequency lines in fit: 37 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 3 26 2 26 2 26 limits of quantum number 2: 1 24 0 23 0 24 limits of quantum number 3: 0 6 0 5 0 6 frequency range: 16038 75343 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6256.1024(35) 1 20000 B /MHz 5957.2310(38) 2 30000 C /MHz 3050.8460(75) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.446(41) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.00476(50) 7 50000 d2 /kHz 0.01485(17) 8 CORRELATION COEFFICIENTS, C.ij: A B C -DJK d1 d2 A 1.0000 B 0.9870 1.0000 C -0.3799 -0.4314 1.0000 -DJK 0.6240 0.6793 -0.9070 1.0000 d1 -0.4157 -0.5407 0.6587 -0.7755 1.0000 d2 0.1983 0.2399 -0.3382 0.4525 -0.2919 1.0000 Mean value of |C.ij|, i.ne.j = 0.5280 Mean value of C.ij, i.ne.j = -0.0160 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 3: 4.6 18: 3.7 28: 3.3 17: 3.3 30: -2.9 20: 2.6 23: -2.6 19: 2.6 33: 2.4 27: 2.2 2: -2.1 36: -1.9 14: -1.8 29: -1.7 24: -1.7 34: 1.6 8: -1.4 6: -1.1 25: -1.1 32: -1.0 12: -1.0 10: -1.0 11: 0.9 21: -0.9 26: 0.7 37: -0.6 1: 0.6 13: 0.5 5: -0.4 4: -0.3 31: -0.3 15: -0.3 22: -0.2 7: -0.2 35: -0.2 9: 0.2 16: 0.1 3/ 6 1 6 5 0 5 39662.4900 0.2303 0.050 18/ 18 18 0 18 17 1 32327.3000 0.1862 0.050 28/ 22 21 1 22 20 2 35917.2100 0.1667 0.050 17/ 17 17 1 17 16 2 30489.6700 0.1643 0.050 30: 23 22 1 23 21 2 37994.2600 -0.1429 0.050 20: 19 19 0 19 18 1 34329.8800 0.1313 0.050 23: 20 20 1 20 19 2 36364.9500 -0.1297 0.050 19: 18 18 1 18 17 2 32441.4200 0.1292 0.050 33: 24 22 2 24 21 3 34459.2100 0.1204 0.050 27: 21 20 2 21 19 3 34275.2900 0.1110 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM