Pyrimidine, 15N, Valladolid data, S-IIIl Wed Apr 06 23:53:27 2016 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 5 5 0 4 4 1 63272.5000 0.0768 0.050 2: 6 6 0 5 5 1 75311.1500 -0.0492 0.050 3: 6 5 2 5 4 1 66328.5800 -0.0347 0.050 4: 7 5 3 6 4 2 71074.9100 0.0171 0.050 5: 16 16 0 16 15 1 28315.8400 0.0111 0.050 6: 16 16 1 16 15 2 28595.5800 -0.0396 0.050 7: 17 17 0 17 16 1 30359.5700 0.0792 0.050 8: 17 17 1 17 16 2 30538.0200 0.0024 0.050 9: 18 18 0 18 17 1 32380.5500 0.0957 0.050 10: 18 18 1 18 17 2 32492.9400 0.0917 0.050 11/ 19 19 0 19 18 1 34385.6100 0.1721 0.050 12: 19 19 1 19 18 2 34455.4600 0.0690 0.050 13/ 20 20 0 20 19 1 36379.1200 -0.1997 0.050 14/ 20 20 1 20 19 2 36422.5800 0.1516 0.050 15: 21 21 0 21 20 1 38365.4100 -0.1009 0.050 16: 21 21 1 21 20 2 38391.8400 -0.0069 0.050 17: 21 20 1 21 19 2 33870.0100 0.0077 0.050 18: 21 20 2 21 19 3 34334.8200 -0.0841 0.050 19: 22 21 1 22 20 2 35985.5300 -0.0403 0.050 20: 22 21 2 22 20 3 36290.6600 -0.0844 0.050 21: 23 22 1 23 21 2 38064.4200 -0.1133 0.050 22: 23 22 2 23 21 3 38262.2100 0.0605 0.050 23: 24 22 3 24 21 4 35961.3200 0.0441 0.050 24: 24 22 2 24 21 3 34547.3200 -0.0276 0.050 25: 25 23 2 25 22 3 36891.0300 0.0571 0.050 26: 25 23 3 25 22 4 37871.7500 0.0097 0.050 27: 26 24 2 26 23 3 39153.9400 0.0136 0.050 28: 26 24 3 26 23 4 39821.6400 -0.0469 0.050 29: 10 10 0 10 9 1 15187.3110 -0.0180 0.010 30: 10 9 2 10 8 3 17632.5630 -0.0067 0.010 31: 14 13 1 14 12 2 17488.0920 0.0122 0.010 32: 15 12 3 15 11 4 16013.6770 0.0040 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6253.9624(21) 1 20000 B /MHz 5954.1580(21) 2 30000 C /MHz 3049.5416(41) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.442(18) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.00286(23) 7 50000 d2 /kHz 0.014111(86) 8 MICROWAVE AVG = 0.003856 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.075894 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.56992 1.56992 distinct frequency lines in fit: 32 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 5 26 4 26 4 26 limits of quantum number 2: 5 24 4 23 4 24 limits of quantum number 3: 0 3 1 4 0 4 frequency range: 15187 75311 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6253.9625(36) 1 20000 B /MHz 5954.1580(37) 2 30000 C /MHz 3049.5416(71) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.443(32) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.00286(40) 7 50000 d2 /kHz 0.01411(14) 8 CORRELATION COEFFICIENTS, C.ij: A B C -DJK d1 d2 A 1.0000 B 0.9923 1.0000 C 0.3240 0.2489 1.0000 -DJK 0.1782 0.2582 -0.8299 1.0000 d1 -0.1313 -0.2407 0.6705 -0.8282 1.0000 d2 0.0735 0.1166 -0.3678 0.5114 -0.3166 1.0000 Mean value of |C.ij|, i.ne.j = 0.4059 Mean value of C.ij, i.ne.j = 0.0440 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 13: -4.0 11: 3.4 14: 3.0 21: -2.3 15: -2.0 9: 1.9 10: 1.8 29: -1.8 20: -1.7 18: -1.7 7: 1.6 1: 1.5 12: 1.4 31: 1.2 22: 1.2 25: 1.1 2: -1.0 28: -0.9 23: 0.9 19: -0.8 6: -0.8 3: -0.7 30: -0.7 24: -0.6 32: 0.4 4: 0.3 27: 0.3 5: 0.2 26: 0.2 17: 0.2 16: -0.1 8: 0.0 13/ 20 20 0 20 19 1 36379.1200 -0.1997 0.050 11/ 19 19 0 19 18 1 34385.6100 0.1721 0.050 14/ 20 20 1 20 19 2 36422.5800 0.1516 0.050 21: 23 22 1 23 21 2 38064.4200 -0.1133 0.050 15: 21 21 0 21 20 1 38365.4100 -0.1009 0.050 9: 18 18 0 18 17 1 32380.5500 0.0957 0.050 10: 18 18 1 18 17 2 32492.9400 0.0917 0.050 29: 10 10 0 10 9 1 15187.3110 -0.0180 0.010 20: 22 21 2 22 20 3 36290.6600 -0.0844 0.050 18: 21 20 2 21 19 3 34334.8200 -0.0841 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM