Tertiary butyl iodide Fri Oct 27 17:33:59 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 3 0 3 5 2 0 2 5 9071.3815 0.0023 0.002 2: 3 0 3 2 2 0 2 1 9210.8380 0.0014 0.002 3: 3 0 3 3 2 0 2 2 9233.8489 -0.0018 0.002 4: 3 0 3 4 2 0 2 3 9309.2141 0.0006 0.002 5: 3 0 3 1 2 0 2 1 9363.5583 0.0000 0.002 6: 3 0 3 6 2 0 2 5 9384.9352 0.0015 0.002 7: 3 0 3 5 2 0 2 4 9400.7881 0.0002 0.002 8: 3 0 3 4 2 0 2 4 9407.3581 -0.0003 0.002 9: 3 0 3 2 2 0 2 2 9430.8255 -0.0009 0.002 10: 3 0 3 3 2 0 2 3 9468.1057 -0.0005 0.002 11: 3 0 3 3 2 0 2 4 9566.2499 -0.0013 0.002 12: 3 0 3 1 2 0 2 2 9583.5469 -0.0013 0.002 13: 3 0 3 2 2 0 2 3 9665.0805 -0.0014 0.002 ! 14: 3 1 2 5 2 1 1 5 9181.0320 0.0000 0.002 15: 3 1 2 4 2 1 1 5 9181.8918 0.0009 0.002 16: 3 1 2 3 2 1 1 2 9286.8763 -0.0001 0.002 17: 3 1 2 4 2 1 1 3 9297.5564 0.0004 0.002 18: 3 1 2 5 2 1 1 4 9334.7719 -0.0001 0.002 19: 3 1 2 4 2 1 1 4 9335.6316 0.0006 0.002 20: 3 1 2 2 2 1 1 1 9338.3942 0.0006 0.002 21: 3 1 2 6 2 1 1 5 9411.6879 0.0008 0.002 22: 3 1 2 3 2 1 1 3 9418.8762 0.0012 0.002 23: 3 1 2 2 2 1 1 2 9436.2379 0.0013 0.002 24: 3 1 2 1 2 1 1 1 9452.0541 0.0005 0.002 25: 3 1 2 3 2 1 1 4 9456.9507 0.0008 0.002 26: 3 1 2 1 2 1 1 2 9549.8960 -0.0004 0.002 27: 3 1 2 2 2 1 1 3 9568.2357 0.0006 0.002 ! 28: 3 2 1 4 2 2 0 4 9154.5608 0.0009 0.002 29: 3 2 1 5 2 2 0 4 9163.4948 0.0022 0.002 30: 3 2 1 4 2 2 0 3 9246.0257 0.0001 0.002 31: 3 2 1 3 2 2 0 3 9250.7836 0.0009 0.002 32: 3 2 1 6 2 2 0 5 9488.4600 0.0019 0.002 33: 3 2 1 3 2 2 0 2 9496.6764 0.0014 0.002 34: 3 2 1 1 2 2 0 2 9498.7752 0.0047 0.002 35: 3 2 1 5 2 2 0 5 9500.3184 0.0009 0.002 36: 3 2 1 2 2 2 0 2 9500.6399 0.0009 0.002 37: 3 2 1 1 2 2 0 1 9712.7027 0.0006 0.002 38: 3 2 1 2 2 2 0 1 9714.5695 -0.0010 0.002 ! 39: 4 0 4 6 3 0 3 6 12194.9520 -0.0036 0.002 40: 4 0 4 3 3 0 3 2 12419.4740 0.0014 0.002 ! 41: 4 1 3 6 3 1 2 6 12255.4550 -0.0022 0.002 42: 4 1 3 4 3 1 2 3 12437.5693 0.0006 0.002 43: 4 1 3 3 3 1 2 2 12446.5464 -0.0012 0.002 44: 4 1 3 5 3 1 2 4 12456.0013 0.0016 0.002 45: 4 1 3 6 3 1 2 5 12486.1127 0.0004 0.002 46: 4 1 3 7 3 1 2 6 12511.1225 0.0014 0.002 ! 47: 4 2 2 5 3 2 1 5 12404.7210 0.0006 0.002 48: 4 2 2 5 3 2 1 4 12413.6543 0.0012 0.002 ! 49: 4 3 1 4 3 3 0 4 12295.3913 0.0017 0.002 50: 4 3 1 6 3 3 0 5 12328.2173 0.0012 0.002 51: 4 3 1 5 3 3 0 5 12334.3132 -0.0010 0.002 52: 4 3 1 5 3 3 0 4 12336.9359 -0.0005 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz [4500.] 1 20000 B /MHz [1560.59959] 2 -30000 C /MHz [1560.59959] = 1.00000 * 2 200 DJ /kHz [ 0.19348] 3 1100 DJK /kHz [ 0.6917] 4 110010000 chi.aa*3/2 /MHz -2562.3985(50) 5 10010000 M.aa {+IMJ /MHz 0.00113(36) 6 10020000 M.bb {+IMJ /MHz 0.006112(92) 7 -10030000 M.cc /MHz 0.006112(92) = 1.00000 * 7 MICROWAVE AVG = 0.000412 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001411 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.70251 0.70251 distinct frequency lines in fit: 52 distinct parameters of fit: 3 upper state lower state overall limits of quantum number 1: 3 4 2 3 2 4 limits of quantum number 2: 0 3 0 3 0 3 limits of quantum number 3: 1 4 0 3 0 4 limits of quantum number 4: 1 7 1 6 1 7 frequency range: 9071 12511 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz [4500.] 1 20000 B /MHz [1560.59959] 2 -30000 C /MHz [1560.59959] = 1.00000 * 2 200 DJ /kHz [ 0.19348] 3 1100 DJK /kHz [ 0.6917] 4 110010000 chi.aa*3/2 /MHz -2562.3985(36) 5 10010000 M.aa {+IMJ /MHz 0.00113(26) 6 10020000 M.bb {+IMJ /MHz 0.006112(66) 7 -10030000 M.cc /MHz 0.006112(66) = 1.00000 * 7 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 10010000 M.aa {+IMJ /MHz 0.00113(26) 6 23.1 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: chi.aa*3 M.aa {+I M.bb {+I chi.aa*3/2 1.0000 M.aa {+IMJ 0.2994 1.0000 M.bb {+IMJ -0.2081 -0.0316 1.0000 Mean value of |C.ij|, i.ne.j = 0.1797 Mean value of C.ij, i.ne.j = 0.0199 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 34: 2.3 39: -1.8 1: 1.1 29: 1.1 41: -1.1 32: 0.9 3: -0.9 49: 0.8 44: 0.8 6: 0.8 13: -0.7 2: 0.7 33: 0.7 40: 0.7 46: 0.7 11: -0.6 12: -0.6 23: 0.6 43: -0.6 22: 0.6 50: 0.6 48: 0.6 38: -0.5 51: -0.5 9: -0.4 36: 0.4 35: 0.4 31: 0.4 15: 0.4 28: 0.4 25: 0.4 21: 0.4 4: 0.3 27: 0.3 47: 0.3 20: 0.3 42: 0.3 37: 0.3 19: 0.3 10: -0.2 52: -0.2 24: 0.2 45: 0.2 17: 0.2 26: -0.2 8: -0.1 7: 0.1 30: 0.0 18: 0.0 16: 0.0 34: 3 2 1 1 2 2 0 2 9498.7752 0.0047 0.002 39: 4 0 4 6 3 0 3 6 12194.9520 -0.0036 0.002 1: 3 0 3 5 2 0 2 5 9071.3815 0.0023 0.002 29: 3 2 1 5 2 2 0 4 9163.4948 0.0022 0.002 41: 4 1 3 6 3 1 2 6 12255.4550 -0.0022 0.002 32: 3 2 1 6 2 2 0 5 9488.4600 0.0019 0.002 3: 3 0 3 3 2 0 2 2 9233.8489 -0.0018 0.002 49: 4 3 1 4 3 3 0 4 12295.3913 0.0017 0.002 44: 4 1 3 5 3 1 2 4 12456.0013 0.0016 0.002 6: 3 0 3 6 2 0 2 5 9384.9352 0.0015 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM