(H2O...DOH)...H79Br: W Fri Oct 27 09:16:46 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 2 0 2 4 1 0 1 3 7157.8355 -0.0004 0.002 ! 2: 1 1 1 1 0 0 0 2 8305.9901 -0.0001 0.002 3: 1 1 1 3 0 0 0 2 8313.3901 0.0004 0.002 4: 1 1 1 2 0 0 0 2 8324.7982 -0.0003 0.002 ! 5: 3 1 3 5 2 1 2 4 10064.8065 0.0005 0.002 ! 6: 3 0 3 5 2 0 2 4 10657.9158 -0.0006 0.002 7: 3 0 3 4 2 0 2 3 10661.4624 0.0013 0.002 8: 3 0 3 3 2 0 2 2 10669.4488 -0.0009 0.002 ! 9: 3 1 2 5 2 1 1 4 11469.5626 -0.0002 0.002 10: 3 1 2 4 2 1 1 3 11480.4622 0.0012 0.003 ! 11: 4 1 4 6 3 1 3 5 13388.5203 0.0000 0.002 ! 12: 4 0 4 6 3 0 3 5 14065.1484 -0.0010 0.002 13: 4 0 4 5 3 0 3 4 14070.1715 0.0008 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6750.4261(26) 1 20000 B /MHz 2032.7346(15) 2 30000 C /MHz 1564.9222(12) 3 200 DJ /kHz 3.878(22) 4 1100 DJK /kHz [ 8.58] 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 0.931(30) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 250.313(65) 9 110040000 chi(b-c)/4 /MHz 63.066(11) 10 110610000 chi.ab /MHz -285.63(28) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.] 13 10030000 M.cc {+IMJ /MHz [ 0.] 14 MICROWAVE AVG = 0.000045 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.000752 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.35394 0.35394 distinct frequency lines in fit: 13 distinct parameters of fit: 8 upper state lower state overall limits of quantum number 1: 1 4 0 3 0 4 limits of quantum number 2: 0 1 0 1 0 1 limits of quantum number 3: 1 4 0 3 0 4 limits of quantum number 4: 1 6 2 5 1 6 frequency range: 7157 14070 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6750.4262(15) 1 20000 B /MHz 2032.73466(87) 2 30000 C /MHz 1564.92225(69) 3 200 DJ /kHz 3.878(12) 4 1100 DJK /kHz [ 8.58] 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 0.931(17) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 250.313(37) 9 110040000 chi(b-c)/4 /MHz 63.0660(66) 10 110610000 chi.ab /MHz -285.63(16) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.] 13 10030000 M.cc {+IMJ /MHz [ 0.] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -delJ chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.3832 1.0000 C -0.7182 -0.7522 1.0000 -DJ 0.1687 -0.6487 0.0205 1.0000 -delJ -0.4077 -0.9589 0.7749 0.6138 1.0000 chi.aa*3/2 -0.6314 0.0443 0.3407 -0.3871 -0.0482 1.0000 chi(b-c)/4 -0.6149 0.0373 0.3450 -0.3851 -0.0426 0.9626 1.0000 chi.ab 0.8065 0.0730 -0.4642 0.3282 -0.0984 -0.8009 -0.8055 1.0000 Mean value of |C.ij|, i.ne.j = 0.4522 Mean value of C.ij, i.ne.j = -0.1023 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 7: 0.6 12: -0.5 8: -0.4 13: 0.4 10: 0.4 6: -0.3 5: 0.2 1: -0.2 3: 0.2 4: -0.1 9: -0.1 2: -0.1 11: 0.0 7: 3 0 3 4 2 0 2 3 10661.4624 0.0013 0.002 12: 4 0 4 6 3 0 3 5 14065.1484 -0.0010 0.002 8: 3 0 3 3 2 0 2 2 10669.4488 -0.0009 0.002 13: 4 0 4 5 3 0 3 4 14070.1715 0.0008 0.002 10: 3 1 2 4 2 1 1 3 11480.4622 0.0012 0.003 6: 3 0 3 5 2 0 2 4 10657.9158 -0.0006 0.002 5: 3 1 3 5 2 1 2 4 10064.8065 0.0005 0.002 1: 2 0 2 4 1 0 1 3 7157.8355 -0.0004 0.002 3: 1 1 1 3 0 0 0 2 8313.3901 0.0004 0.002 4: 1 1 1 2 0 0 0 2 8324.7982 -0.0003 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM