____________________________________________________________________________ | | | QSTARK - Fully diagonalizing fit of Stark shifts in a rotor | | with zero or one quadrupolar nuclei | |____________________________________________________________________________| version 9.XII.2002 Zbigniew KISIEL ------------------------------------------------------------------------------ Ether , 11.XII.2002 ------------------------------------------------------------------------------ Calculation for J and F exceeding the value in data by at least 2 The fit will be made to TRANSITION FREQUENCIES 22 Lines read in 22 Lines fitted ---> 3 field free and 19 at non-zero field 1 Constants fitted ITERATION NO = 2 CONSTANTS, deviations and changes: Mu.b = 1.097557544 +- 0.000301744 0.000000000 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc -1 +1 -1 +1 1. 1 1 0 1 0 1 2 2 2 2 0.0 15854.28400 0.00072 2. 1 1 0 1 0 1 2 2 2 2 2006.1 15854.34330 0.00066 3. 1 1 0 1 0 1 2 2 2 2 3507.7 15854.46470 -0.00006 4. 1 1 0 1 0 1 2 2 2 2 5929.5 15854.80020 -0.00166 5. 1 1 0 1 0 1 2 2 2 2 7271.6 15855.06190 -0.00128 6. 1 1 0 1 0 1 2 2 2 2 8394.2 15855.31920 -0.00335 7. 1 1 0 1 0 1 2 2 2 2 9383.7 15855.58090 -0.00110 8. 1 1 0 1 0 1 2 2 2 2 10276.3 15855.83780 -0.00301 9. 1 1 0 1 0 1 2 2 2 2 11095.3 15856.09540 -0.00354 10. 2 1 1 2 0 2 4 2 4 2 0.0 15997.68970 -0.00115 11. 2 1 1 2 0 2 4 2 4 2 3507.7 15997.79870 0.00292 12. 2 1 1 2 0 2 4 2 4 2 5933.5 15997.99400 0.00290 13. 2 1 1 2 0 2 4 2 4 2 7266.9 15998.14300 0.00179 14. 2 1 1 2 0 2 4 2 4 2 8394.2 15998.29460 0.00283 15. 2 1 1 2 0 2 4 2 4 2 9383.7 15998.44230 0.00051 16. 2 1 1 2 0 2 4 2 4 2 10276.3 15998.59440 0.00296 17. 2 1 1 2 0 2 4 2 4 2 11095.3 15998.74040 -0.00030 18. 2 1 1 2 0 2 4 4 4 4 0.0 15997.68970 -0.00115 19. 2 1 1 2 0 2 4 4 4 4 5927.2 15998.30240 0.00320 20. 2 1 1 2 0 2 4 4 4 4 7271.6 15998.60850 0.00204 21. 2 1 1 2 0 2 4 4 4 4 8394.2 15998.91470 0.00372 22. 2 1 1 2 0 2 4 4 4 4 9383.7 15999.21760 0.00202 Standard deviation = 0.002304 ITERATION NO = 3 CONSTANTS, deviations and changes: Mu.b = 1.097557544 +- 0.000301744 0.000000000 FINAL RESULTS OF LEAST SQUARES FITTING PROCEDURE ================================================ FITTED CONSTANTS: A /MHz 17956.156487277257838 1:Xab /MHz 0. B /MHz 2244.225553258467698 1:XJ.a/kHz 0. C /MHz 2101.793429087650110 1:XK.a/kHz 0. DJ /kHz 0.273924901999819 1:XJbc/kHz 0. DJK /kHz -3.648828464737635 1:Ma /MHz 0. DK /kHz 85.916626754012327 1:Mb-c/MHz 0. dJ /kHz 0.032980094740065 1:Tr /MHz 0. dK /kHz 0.512778374029861 1:Xd /kHz 0. HJ / Hz 0.0000749602392 HJK / Hz -0.0026325717263 HKJ / Hz -0.0177607971397 HK / Hz 0.1381842126256 hJ / Hz 0.0000267135975 hJK / Hz 0. Mu.a /D 0. hK / Hz 0. Mu.b /D 1.09755(30) LKKJ /mHz 0. Mu.c /D 0. 1:Xa /MHz 0. d /cm 26.93 1:Xb-c/MHz 0. k /cm 0. ------------------------------------------------------------------------------