(H2O...H(18O)H)...H79Br: W Fri Oct 27 09:08:58 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2O...H(18O)H]...H79Br: W ! 1: 2 0 2 4 1 0 1 3 7068.0717 0.0006 0.002 2: 2 0 2 3 1 0 1 2 7072.6010 0.0038 0.005 ! 3: 2 1 1 4 1 1 0 3 7583.8403 -0.0001 0.002 ! 4: 3 1 3 3 2 1 2 3 9895.9184 0.0018 0.002 5: 3 1 3 5 2 1 2 4 9913.7602 -0.0012 0.002 6: 3 1 3 4 2 1 2 3 9925.5774 -0.0003 0.002 ! 7: 3 0 3 5 2 0 2 4 10512.8596 -0.0032 0.002 8: 3 0 3 4 2 0 2 3 10516.6324 0.0008 0.002 9: 3 0 3 2 2 0 2 1 10521.6201 0.0000 0.002 10: 3 0 3 3 2 0 2 2 10525.5362 0.0007 0.002 ! 11: 3 1 2 5 2 1 1 4 11359.2205 0.0006 0.002 12: 3 1 2 4 2 1 1 3 11370.7847 -0.0005 0.002 ! 13: 4 1 4 6 3 1 3 5 13183.0015 -0.0034 0.002 14: 4 1 4 3 3 1 3 2 13187.7566 -0.0002 0.002 15: 4 1 4 5 3 1 3 4 13188.2254 0.0003 0.002 16: 4 1 4 4 3 1 3 3 13194.1086 0.0030 0.002 ! 17: 4 0 4 5 3 0 3 4 13859.2244 0.0021 0.002 18: 4 0 4 4 3 0 3 3 13863.3479 -0.0015 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6402.54(11) 1 20000 B /MHz 2018.3545(15) 2 30000 C /MHz 1536.7898(11) 3 200 DJ /kHz 3.740(43) 4 1100 DJK /kHz 9.07(63) 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 0.983(34) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 271.042(42) 9 110040000 chi(b-c)/4 /MHz 59.745(10) 10 110610000 chi.ab /MHz -282.86(22) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.0025] 13 -10030000 M.cc /MHz [ 0.0025] = 1.00000 * 13 MICROWAVE AVG = 0.000193 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001840 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.82153 0.82153 distinct frequency lines in fit: 18 distinct parameters of fit: 9 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: 1 4 0 3 0 4 limits of quantum number 4: 2 6 1 5 1 6 frequency range: 7068 13863 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6402.55(13) 1 20000 B /MHz 2018.3545(17) 2 30000 C /MHz 1536.7898(12) 3 200 DJ /kHz 3.740(49) 4 1100 DJK /kHz 9.07(73) 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 0.983(39) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 271.042(48) 9 110040000 chi(b-c)/4 /MHz 59.746(11) 10 110610000 chi.ab /MHz -282.87(26) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.0025] 13 -10030000 M.cc /MHz [ 0.0025] = 1.00000 * 13 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -delJ chi.aa*3 chi(b-c) A 1.0000 B 0.4558 1.0000 C -0.6086 -0.8195 1.0000 -DJ -0.9015 -0.6544 0.5695 1.0000 -DJK 0.9122 0.1554 -0.3906 -0.7662 1.0000 -delJ -0.6669 -0.9473 0.8661 0.8062 -0.3952 1.0000 chi.aa*3/2 0.2385 0.4553 -0.3014 -0.3413 0.1158 -0.4178 1.0000 chi(b-c)/4 -0.1470 -0.4966 0.5875 0.1057 0.0440 0.4347 -0.3828 1.0000 chi.ab 0.1443 -0.1382 -0.0857 -0.0517 0.2427 0.0410 -0.6902 0.1480 chi.ab chi.ab 1.0000 Mean value of |C.ij|, i.ne.j = 0.4313 Mean value of C.ij, i.ne.j = -0.0800 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 13: -1.7 7: -1.6 16: 1.5 17: 1.0 4: 0.9 2: 0.8 18: -0.8 5: -0.6 8: 0.4 10: 0.3 1: 0.3 11: 0.3 12: -0.2 15: 0.1 6: -0.1 14: -0.1 3: -0.1 9: 0.0 13: 4 1 4 6 3 1 3 5 13183.0015 -0.0034 0.002 7: 3 0 3 5 2 0 2 4 10512.8596 -0.0032 0.002 16: 4 1 4 4 3 1 3 3 13194.1086 0.0030 0.002 17: 4 0 4 5 3 0 3 4 13859.2244 0.0021 0.002 4: 3 1 3 3 2 1 2 3 9895.9184 0.0018 0.002 2: 2 0 2 3 1 0 1 2 7072.6010 0.0038 0.005 18: 4 0 4 4 3 0 3 3 13863.3479 -0.0015 0.002 5: 3 1 3 5 2 1 2 4 9913.7602 -0.0012 0.002 8: 3 0 3 4 2 0 2 3 10516.6324 0.0008 0.002 10: 3 0 3 3 2 0 2 2 10525.5362 0.0007 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM