(H218O...HOH)...H81Br: S Fri Oct 27 09:12:59 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! (H218O...HOH)...H81Br: S ! 1: 2 0 2 4 1 0 1 3 6933.8273 -0.0053 0.002 2: 2 0 2 3 1 0 1 2 6937.7575 -0.0003 0.002 ! 3: 3 1 3 5 2 1 2 4 9747.2568 0.0015 0.002 4: 3 1 3 2 2 1 2 1 9753.9412 0.0042 0.002 5: 3 1 3 4 2 1 2 3 9755.3010 -0.0013 0.002 6: 3 1 3 3 2 1 2 2 9762.2805 -0.0020 0.002 ! 7: 3 0 3 5 2 0 2 4 10322.4100 0.0000 0.002 8: 3 0 3 4 2 0 2 3 10325.8526 0.0022 0.002 9: 3 0 3 3 2 0 2 2 10331.2927 -0.0004 0.002 ! 10: 3 1 2 5 2 1 1 4 11113.5154 0.0004 0.002 11: 3 1 2 3 2 1 1 2 11114.3305 0.0044 0.002 12: 3 1 2 4 2 1 1 3 11121.5127 -0.0025 0.002 ! 13: 4 1 4 6 3 1 3 5 12964.7053 -0.0028 0.002 14: 4 1 4 5 3 1 3 4 12968.5366 -0.0018 0.002 15: 4 1 4 4 3 1 3 3 12973.3586 0.0036 0.002 ! 16: 4 1 3 6 3 1 2 5 14777.3188 -0.0015 0.002 17: 4 1 3 4 3 1 2 3 14779.9527 0.0004 0.002 18: 4 1 3 5 3 1 2 4 14782.8587 0.0001 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6508.627(68) 1 20000 B /MHz 1969.96190(76) 2 30000 C /MHz 1514.89289(70) 3 200 DJ /kHz 3.8379(98) 4 1100 DJK /kHz [ 7.57] 5 2000 DK /kHz [-111.] 6 40100 delJ /kHz 0.994(12) 7 41000 delK /kHz [ 9.29999999999999] 8 110010000 chi.aa*3/2 /MHz 179.346(30) 9 110040000 chi(b-c)/4 /MHz 57.817(11) 10 110610000 chi.ab /MHz -242.20(13) 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 = -0.000067 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002512 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.25618 1.25618 distinct frequency lines in fit: 18 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: 2 6 1 5 1 6 frequency range: 6933 14782 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6508.63(11) 1 20000 B /MHz 1969.9619(12) 2 30000 C /MHz 1514.8929(11) 3 200 DJ /kHz 3.838(16) 4 1100 DJK /kHz [ 7.57] 5 2000 DK /kHz [-111.] 6 40100 delJ /kHz 0.995(20) 7 41000 delK /kHz [ 9.29999999999999] 8 110010000 chi.aa*3/2 /MHz 179.347(50) 9 110040000 chi(b-c)/4 /MHz 57.818(18) 10 110610000 chi.ab /MHz -242.21(22) 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 0.0265 1.0000 C -0.3338 -0.7195 1.0000 -DJ -0.0775 -0.4303 -0.1918 1.0000 -delJ -0.2504 -0.8895 0.8911 0.1724 1.0000 chi.aa*3/2 0.1287 -0.0790 0.0569 -0.1299 0.0063 1.0000 chi(b-c)/4 0.0653 0.2335 -0.3482 0.0744 -0.2562 -0.0032 1.0000 chi.ab -0.3136 -0.0004 0.0227 0.2176 0.1487 -0.4120 -0.0170 1.0000 Mean value of |C.ij|, i.ne.j = 0.2320 Mean value of C.ij, i.ne.j = -0.0860 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 1: -2.6 11: 2.2 4: 2.1 15: 1.8 13: -1.4 12: -1.2 8: 1.1 6: -1.0 14: -0.9 16: -0.8 3: 0.8 5: -0.6 9: -0.2 17: 0.2 10: 0.2 2: -0.1 18: 0.1 7: 0.0 1: 2 0 2 4 1 0 1 3 6933.8273 -0.0053 0.002 11: 3 1 2 3 2 1 1 2 11114.3305 0.0044 0.002 4: 3 1 3 2 2 1 2 1 9753.9412 0.0042 0.002 15: 4 1 4 4 3 1 3 3 12973.3586 0.0036 0.002 13: 4 1 4 6 3 1 3 5 12964.7053 -0.0028 0.002 12: 3 1 2 4 2 1 1 3 11121.5127 -0.0025 0.002 8: 3 0 3 4 2 0 2 3 10325.8526 0.0022 0.002 6: 3 1 3 3 2 1 2 2 9762.2805 -0.0020 0.002 14: 4 1 4 5 3 1 3 4 12968.5366 -0.0018 0.002 16: 4 1 3 6 3 1 2 5 14777.3188 -0.0015 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM