lexa.out.9 START SPECIAL OUTPUT fix pKe*=8, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 1441 number of data points 63 rms weighted error 1.33763e-01 parm 0 logk*,ref -1.26369 +- 0.05768 parm 1 pKe* 8.00000 fixed parm 2 pKe,ref 9.78012 +- 0.08411 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.76621 logklim -2.75776 logKconf -1.47992 +- 0.10589 * 6 pKapp 9.58254 logklim -1.69351 logKconf -0.22799 +- 0.11943 * 7 pKapp 9.24434 logklim -1.40591 logKconf 0.41177 +- 0.13922 * 8 pKapp 8.55297 logklim -1.28296 logKconf 1.34324 +- 0.18225 0 0 2.5024314257e-06 -1.2636906395e+00 -1.2636906999e+00 5.7678465018e-02 2 1 1.9704316589e-06 9.7801220707e+00 9.7801221601e+00 8.4107739981e-02 5 2 3.7307233060e-06 -1.4799182023e+00 -1.4799180702e+00 1.0588786280e-01 6 3 3.9813456350e-06 -2.2798901308e-01 -2.2798885385e-01 1.1943313637e-01 7 4 5.0589874722e-06 4.1176934342e-01 4.1176950486e-01 1.3922187467e-01 8 5 6.4831817704e-06 1.3432379359e+00 1.3432383573e+00 1.8224538686e-01 yzero = 1.01987495708060e+00 ymin = 1.01987495708047e+00 y-pmin = 1.01987495708047e+00 lexa.out.10 START SPECIAL OUTPUT fix pKe*=9, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 1164 number of data points 63 rms weighted error 1.57477e-01 parm 0 logk*,ref -1.08614 +- 0.04632 parm 1 pKe* 9.00000 fixed parm 2 pKe,ref 9.68297 +- 0.08458 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.67662 logklim -2.82288 logKconf -1.72870 +- 0.09125 * 6 pKapp 9.58882 logklim -1.69529 logKconf -0.48655 +- 0.10105 * 7 pKapp 9.40215 logklim -1.30736 logKconf 0.17767 +- 0.13327 * 8 pKapp 9.00001 logklim -1.08614 logKconf 5.30727 +- 25.67930 0 0 7.7759462161e-07 -1.0861384430e+00 -1.0862489335e+00 4.6322837099e-02 2 1 2.3057781947e-06 9.6829747974e+00 9.6836290981e+00 8.4575934270e-02 5 2 7.9511817124e-07 -1.7287035073e+00 -1.7281327225e+00 9.1245066143e-02 6 3 1.6286419594e-06 -4.8655114860e-01 -4.8591568742e-01 1.0104624162e-01 7 4 2.7415782639e-06 1.7766728889e-01 1.7887833352e-01 1.3326801448e-01 8 5 2.7468320138e-04 5.3072710161e+00 5.7428273204e+00 2.5679302154e+01 yzero = 1.41353819274330e+00 ymin = 1.41352845501697e+00 y-pmin = 1.41352657909013e+00 lexa.out.11 START SPECIAL OUTPUT fix pKe*=9, A=free, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 4002 number of data points 63 rms weighted error 1.33923e-01 parm 0 logk*,ref -2.40840 +- 0.62821 parm 1 pKe* 9.00000 fixed parm 2 pKe,ref 10.37778 +- 0.48381 parm 3 alpha 0.44519 +- 0.24605 parm 4 beta 0.00000 fixed * 5 pKapp 10.01518 logklim -2.56589 logKconf 0.15958 +- 0.73750 * 6 pKapp 9.34048 logklim -1.87053 logKconf 1.26036 +- 0.64255 * 7 pKapp 9.08043 logklim -1.50106 logKconf 2.04683 +- 0.56392 * 8 pKapp 9.00896 logklim -1.05561 logKconf 3.03960 +- 0.68070 0 0 1.0560062350e-06 -2.4084043882e+00 -2.4084032629e+00 6.2821273438e-01 2 1 6.9903425448e-07 1.0377776894e+01 1.0377776046e+01 4.8380580820e-01 3 2 4.3270025513e-07 4.4518711377e-01 4.4518685212e-01 2.4605344365e-01 5 3 1.1877253791e-06 1.5957962474e-01 1.5957834849e-01 7.3750464960e-01 6 4 9.2922173422e-07 1.2603551800e+00 1.2603538952e+00 6.4254857721e-01 7 5 5.4276313938e-07 2.0468341964e+00 2.0468330725e+00 5.6392370026e-01 8 6 8.2745393276e-07 3.0396038302e+00 3.0396030113e+00 6.8069797270e-01 yzero = 1.00438417248688e+00 ymin = 1.00438417248655e+00 y-pmin = 1.00438417248655e+00 lexa.out.12 START SPECIAL OUTPUT fix pKe*=9, A=0, B=free - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 438 number of data points 63 rms weighted error 2.06041e-01 parm 0 logk*,ref -1.29873 +- 0.04203 parm 1 pKe* 9.00000 fixed parm 2 pKe,ref 8.99041 +- 0.46348 parm 3 alpha 0.00000 fixed parm 4 beta 0.84822 +- 0.52026 * 5 pKapp 10.01949 logklim -2.56232 logKconf -1.23925 +- 0.15925 * 6 pKapp 9.31309 logklim -1.89076 logKconf -0.46369 +- 0.13950 * 7 pKapp 9.00000 logklim -1.29873 logKconf 6.65722 +- 18.05106 * 8 pKapp 9.00000 logklim -1.29873 logKconf 8.01181 +- 63.42908 0 0 1.5419303842e-07 -1.2987301604e+00 -1.2987301837e+00 4.2031360221e-02 2 1 2.1685060798e-06 8.9904065265e+00 8.9904038810e+00 4.6348028218e-01 4 2 1.9800989264e-06 8.4822129082e-01 8.4822360266e-01 5.2025743778e-01 5 3 6.3059447911e-07 -1.2392498900e+00 -1.2392498220e+00 1.5924983020e-01 6 4 6.3656461614e-07 -4.6369007329e-01 -4.6369077635e-01 1.3950237561e-01 7 5 2.4402788302e-06 6.6572162320e+00 6.6554515727e+00 1.8051058612e+01 8 6 6.0598571008e-06 8.0118100578e+00 8.0102644277e+00 6.3429080755e+01 yzero = 2.37737244657828e+00 ymin = 2.37737244616636e+00 y-pmin = 2.37737244575437e+00 lexa.out.13 START SPECIAL OUTPUT fix pKe*=8.5, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 450 number of data points 63 rms weighted error 1.34123e-01 parm 0 logk*,ref -1.30239 +- 0.03707 parm 1 pKe* 8.50000 fixed parm 2 pKe,ref 9.79149 +- 0.08114 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.77654 logklim -2.75012 logKconf -1.43196 +- 0.08415 * 6 pKapp 9.58047 logklim -1.69430 logKconf -0.16600 +- 0.09633 * 7 pKapp 9.22683 logklim -1.41776 logKconf 0.51672 +- 0.11919 * 8 pKapp 8.50000 logklim -1.30239 logKconf 11.91940 +- 2.78960 0 0 4.2325204548e-08 -1.3023868573e+00 -1.3023868715e+00 3.7069593957e-02 2 1 7.8529693732e-08 9.7914926445e+00 9.7914926368e+00 8.1136300255e-02 5 2 8.0763093388e-08 -1.4319593946e+00 -1.4319593843e+00 8.4154597683e-02 6 3 9.8227489131e-08 -1.6599975187e-01 -1.6599975602e-01 9.6327578183e-02 7 4 9.5531130657e-08 5.1672173302e-01 5.1672174125e-01 1.1918685379e-01 8 5 3.0939717861e-07 1.1919400898e+01 1.1919400890e+01 2.7896041202e+00 yzero = 1.02537325756471e+00 ymin = 1.02537325756470e+00 y-pmin = 1.02537325756470e+00