(H2O...H18OH)...H81Br: S Fri Oct 27 09:10:21 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2O...H(18O)H]...H81Br: S ! 1: 2 0 2 4 1 0 1 3 7019.4841 0.0000 0.002 ! 2: 3 1 3 5 2 1 2 4 9850.3678 0.0031 0.002 3: 3 1 3 4 2 1 2 3 9860.2900 -0.0011 0.002 4: 3 1 3 3 2 1 2 2 9866.3940 -0.0021 0.002 ! 5: 3 0 3 5 2 0 2 4 10442.3206 -0.0014 0.002 6: 3 0 3 4 2 0 2 3 10445.4667 0.0015 0.002 ! 7: 3 1 2 5 2 1 1 4 11274.1621 -0.0046 0.002 8: 3 1 2 3 2 1 1 2 11277.8821 0.0046 0.002 ! 9: 4 1 4 6 3 1 3 5 13098.9142 -0.0022 0.002 10: 4 1 4 3 3 1 3 2 13103.0153 0.0017 0.002 11: 4 1 4 5 3 1 3 4 13103.3597 -0.0020 0.002 12: 4 1 4 4 3 1 3 3 13108.2061 0.0025 0.002 ! 13: 4 0 4 6 3 0 3 5 13764.6634 0.0000 0.002 14: 4 0 4 3 3 0 3 2 13767.8809 -0.0042 0.002 15: 4 0 4 5 3 0 3 4 13768.8968 0.0049 0.002 16: 4 0 4 4 3 0 3 3 13772.3673 -0.0005 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6401.069(67) 1 20000 B /MHz 2002.1855(25) 2 30000 C /MHz 1527.7023(12) 3 200 DJ /kHz 3.803(48) 4 1100 DJK /kHz [ 7.57] 5 2000 DK /kHz [-111.] 6 40100 delJ /kHz 1.078(49) 7 41000 delK /kHz [ 9.29999999999999] 8 110010000 chi.aa*3/2 /MHz 226.869(41) 9 110040000 chi(b-c)/4 /MHz 49.857(11) 10 110610000 chi.ab /MHz -235.51(45) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00391] 13 -10030000 M.cc /MHz [ 0.00391] = 1.00000 * 13 MICROWAVE AVG = 0.000001 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002803 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.40174 1.40174 distinct frequency lines in fit: 16 distinct parameters of fit: 8 upper state lower state overall limits of quantum number 1: 2 4 1 3 1 4 limits of quantum number 2: 0 1 0 1 0 1 limits of quantum number 3: 2 4 1 3 1 4 limits of quantum number 4: 3 6 2 5 2 6 frequency range: 7019 13772 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6401.07(13) 1 20000 B /MHz 2002.1855(51) 2 30000 C /MHz 1527.7024(24) 3 200 DJ /kHz 3.803(95) 4 1100 DJK /kHz [ 7.57] 5 2000 DK /kHz [-111.] 6 40100 delJ /kHz 1.078(97) 7 41000 delK /kHz [ 9.29999999999999] 8 110010000 chi.aa*3/2 /MHz 226.869(81) 9 110040000 chi(b-c)/4 /MHz 49.857(22) 10 110610000 chi.ab /MHz -235.51(89) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00391] 13 -10030000 M.cc /MHz [ 0.00391] = 1.00000 * 13 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -delJ chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.9166 1.0000 C -0.8040 -0.9107 1.0000 -DJ -0.9471 -0.9553 0.7714 1.0000 -delJ -0.9311 -0.9888 0.9134 0.9575 1.0000 chi.aa*3/2 0.4364 0.4327 -0.3698 -0.4416 -0.4400 1.0000 chi(b-c)/4 0.0910 0.1375 -0.1685 -0.0698 -0.1063 0.1135 1.0000 chi.ab -0.1806 -0.1556 0.0773 0.1813 0.1872 -0.3993 -0.2471 1.0000 Mean value of |C.ij|, i.ne.j = 0.4761 Mean value of C.ij, i.ne.j = -0.1036 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 15: 2.4 7: -2.3 8: 2.3 14: -2.1 2: 1.5 12: 1.2 9: -1.1 4: -1.0 11: -1.0 10: 0.8 6: 0.8 5: -0.7 3: -0.6 16: -0.2 13: 0.0 1: 0.0 15: 4 0 4 5 3 0 3 4 13768.8968 0.0049 0.002 7: 3 1 2 5 2 1 1 4 11274.1621 -0.0046 0.002 8: 3 1 2 3 2 1 1 2 11277.8821 0.0046 0.002 14: 4 0 4 3 3 0 3 2 13767.8809 -0.0042 0.002 2: 3 1 3 5 2 1 2 4 9850.3678 0.0031 0.002 12: 4 1 4 4 3 1 3 3 13108.2061 0.0025 0.002 9: 4 1 4 6 3 1 3 5 13098.9142 -0.0022 0.002 4: 3 1 3 3 2 1 2 2 9866.3940 -0.0021 0.002 11: 4 1 4 5 3 1 3 4 13103.3597 -0.0020 0.002 10: 4 1 4 3 3 1 3 2 13103.0153 0.0017 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM