CH2CL2 Thu Feb 17 13:20:29 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 2 1 2 3 3 3 0 3 3 2 9261.0932 -0.0005 0.002 2: 2 1 2 3 2 3 0 3 3 1 9266.1329 0.0003 0.002 3: 2 1 2 3 4 3 0 3 1 4 9268.6529 0.0006 0.002 4: 2 1 2 1 3 3 0 3 1 3 9270.6260 0.0008 0.002 5: 2 1 2 3 2 3 0 3 3 2 9272.5198 -0.0012 0.002 6: 2 1 2 3 3 3 0 3 3 3 9272.6754 -0.0002 0.002 7: 2 1 2 3 4 3 0 3 3 3 9275.5390 0.0005 0.002 8: 2 1 2 3 1 3 0 3 3 0 9275.8646 0.0008 0.002 9: 2 1 2 3 4 3 0 3 3 5 9277.2273 0.0010 0.002 10: 2 1 2 3 5 3 0 3 3 6 9277.4267 0.0007 0.002 11: 2 1 2 1 1 3 0 3 1 2 9278.1896 0.0004 0.002 12: 2 1 2 0 2 3 0 3 0 3 9278.5578 0.0005 0.002 13: 2 1 2 2 3 3 0 3 2 4 9278.7240 -0.0031 0.002 14: 2 1 2 2 4 3 0 3 2 5 9278.7645 -0.0017 0.002 15: 2 1 2 2 1 3 0 3 2 1 9278.7774 -0.0011 0.004 16: 2 1 2 2 2 3 0 3 2 3 9278.9804 0.0011 0.002 17: 2 1 2 1 2 3 0 3 1 3 9279.1797 0.0005 0.002 18: 2 1 2 1 3 3 0 3 1 4 9280.0681 0.0006 0.002 19: 2 1 2 3 3 3 0 3 3 4 9280.1563 0.0013 0.002 20: 2 1 2 3 4 3 0 3 3 4 9283.0193 0.0015 0.002 21: 2 1 2 3 2 3 0 3 3 3 9284.1028 0.0000 0.002 22: 2 1 2 1 3 3 0 3 3 3 9286.9540 0.0003 0.002 23: 2 1 2 0 2 3 0 3 2 2 9289.4175 -0.0023 0.002 24: 2 1 2 2 3 3 0 3 2 3 9289.6508 -0.0012 0.002 25: 2 1 2 3 5 3 0 3 3 5 9291.4848 0.0013 0.002 ! 26: 1 1 1 3 2 2 0 2 3 1 15897.0883 -0.0008 0.002 27: 1 1 1 1 2 2 0 2 3 1 15898.0072 0.0004 0.002 28: 1 1 1 3 2 2 0 2 1 2 15899.6867 -0.0013 0.002 29: 1 1 1 1 1 2 0 2 1 2 15899.9534 -0.0005 0.002 30: 1 1 1 0 1 2 0 2 0 2 15900.5379 0.0008 0.002 31: 1 1 1 2 2 2 0 2 0 2 15901.0793 -0.0005 0.002 32: 1 1 1 3 4 2 0 2 3 5 15906.0996 0.0026 0.002 33: 1 1 1 3 2 2 0 2 1 3 15908.6488 -0.0014 0.002 34: 1 1 1 1 2 2 0 2 1 3 15909.5678 0.0000 0.002 35: 1 1 1 3 3 2 0 2 1 3 15909.8315 -0.0008 0.002 36: 1 1 1 3 2 2 0 2 3 2 15911.6542 -0.0009 0.004 37: 1 1 1 1 1 2 0 2 3 2 15911.9203 -0.0007 0.004 38: 1 1 1 2 3 2 0 2 2 4 15912.2743 -0.0018 0.004 39: 1 1 1 1 2 2 0 2 3 2 15912.5722 -0.0005 0.002 40: 1 1 1 1 1 2 0 2 1 1 15920.5181 -0.0007 0.002 41: 1 1 1 3 4 2 0 2 3 4 15921.0714 0.0037 0.002 42: 1 1 1 3 3 2 0 2 3 4 15921.8130 -0.0014 0.002 43: 1 1 1 1 0 2 0 2 1 1 15921.6357 -0.0023 0.002 44: 1 1 1 2 3 2 0 2 2 2 15923.4813 0.0005 0.002 45: 1 1 1 2 1 2 0 2 2 2 15924.0770 -0.0002 0.002 46: 1 1 1 1 2 2 0 2 3 3 15924.5596 0.0005 0.002 47: 1 1 1 3 3 2 0 2 3 3 15924.8232 -0.0003 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 10000 A /MHz [32002.29] 1 20000 B /MHz 3320.281263(81) 2 30000 C /MHz [3065.22985] 3 200 DJ /kHz [ 1.3967] 4 1100 DJK /kHz [-26.079] 5 2000 DK /kHz [472.96] 6 40100 delJ /kHz [ 0.17722] 7 41000 delK /kHz [ 5.299] 8 110010000 chi.aa*3/2 /MHz -62.6126(23) 9 -220010000 chi.aa*3/2 /MHz -62.6126(23) = 1.00000 * 9 110040000 chi(b-c)/4 /MHz -9.53527(84) 10 -220040000 chi(b-c)/4 /MHz -9.53527(84) = 1.00000 * 10 110610000 chi.ab /MHz -50.93(34) 11 -220610000 chi.ab /MHz 50.93(34) = -1.00000 * 11 10030000 Mcc {+IMJ /MHz 0.00188(23) 12 -20030000 Mcc {+IMJ /MHz 0.00188(23) = 1.00000 * 12 MICROWAVE AVG = -0.000103 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001283 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.62286 0.62286 distinct frequency lines in fit: 47 distinct parameters of fit: 5 for standard parameter errors previous errors are multiplied by: 0.658893 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz [32002.29] 1 20000 B /MHz 3320.281263(53) 2 30000 C /MHz [3065.22985] 3 200 DJ /kHz [ 1.3967] 4 1100 DJK /kHz [-26.079] 5 2000 DK /kHz [472.96] 6 40100 delJ /kHz [ 0.17722] 7 41000 delK /kHz [ 5.299] 8 110010000 chi.aa*3/2 /MHz -62.6126(15) 9 -220010000 chi.aa*3/2 /MHz -62.6126(15) = 1.00000 * 9 110040000 chi(b-c)/4 /MHz -9.53527(55) 10 -220040000 chi(b-c)/4 /MHz -9.53527(55) = 1.00000 * 10 110610000 chi.ab /MHz -50.93(22) 11 -220610000 chi.ab /MHz 50.93(22) = -1.00000 * 11 10030000 Mcc {+IMJ /MHz 0.00188(15) 12 -20030000 Mcc {+IMJ /MHz 0.00188(15) = 1.00000 * 12 CORRELATION COEFFICIENTS, C.ij: B chi.aa*3 chi(b-c) chi.ab Mcc {+IM B 1.0000 chi.aa*3/2 -0.0015 0.0000 chi(b-c)/4 0.0337 0.5622 0.0000 chi.ab 0.0122 0.1091 -0.1111 0.0000 Mcc {+IMJ 0.4182 -0.1919 -0.1082 -0.2192 0.0000 Mean value of |C.ij|, i.ne.j = 0.1767 Mean value of C.ij, i.ne.j = 0.0503 Worst fitting lines (obs-calc/error): 41: 1.9 13: -1.5 32: 1.3 43: -1.1 23: -1.1 14: -0.8 20: 0.8 42: -0.7 33: -0.7 25: 0.6 19: 0.6 28: -0.6 24: -0.6 5: -0.6 16: 0.6 9: 0.5 38: -0.4 26: -0.4 30: 0.4 8: 0.4 35: -0.4 4: 0.4 40: -0.3 10: 0.3 3: 0.3 18: 0.3 15: -0.3 29: -0.2 46: 0.2 12: 0.2 44: 0.2 39: -0.2 1: -0.2 7: 0.2 17: 0.2 31: -0.2 36: -0.2 27: 0.2 11: 0.2 37: -0.2 47: -0.1 22: 0.1 2: 0.1 45: -0.1 6: -0.1 34: 0.0 21: 0.0 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM