lexa.out.1 START SPECIAL OUTPUT fix pKe*=5, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 907 number of data points 63 rms weighted error 1.33763e-01 parm 0 logk*,ref -1.25644 +- 0.05826 parm 1 pKe* 5.00000 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 -1.48741 +- 0.10703 * 6 pKapp 9.58254 logklim -1.69351 logKconf -0.23948 +- 0.12012 * 7 pKapp 9.24434 logklim -1.40591 logKconf 0.38632 +- 0.13725 * 8 pKapp 8.55296 logklim -1.28296 logKconf 1.20074 +- 0.15071 0 0 1.6746424267e-06 -1.2564351874e+00 -1.2564319947e+00 5.8263696709e-02 2 1 3.4722737138e-06 9.7801227426e+00 9.7801221597e+00 8.4112830106e-02 5 2 4.5123360441e-06 -1.4874119137e+00 -1.4874151160e+00 1.0703313851e-01 6 3 6.1527060633e-06 -2.3948101883e-01 -2.3948521287e-01 1.2011530716e-01 7 4 5.4916633657e-06 3.8632498739e-01 3.8631895717e-01 1.3724710687e-01 8 5 5.7555237597e-06 1.2007446060e+00 1.2007410677e+00 1.5070564030e-01 yzero = 1.01987495716199e+00 ymin = 1.01987495708047e+00 y-pmin = 1.01987495708047e+00 lexa.out.2 START SPECIAL OUTPUT fix pKe*=5, A=free, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 9072 number of data points 63 rms weighted error 1.18146e-01 parm 0 logk*,ref -2.74728 +- 1.45701 parm 1 pKe* 5.00000 fixed parm 2 pKe,ref 10.53924 +- 0.91148 parm 3 alpha 0.84365 +- 0.42272 parm 4 beta 0.00000 fixed * 5 pKapp 10.00540 logklim -2.57398 logKconf 0.38356 +- 1.19066 * 6 pKapp 9.38836 logklim -1.83499 logKconf 1.11908 +- 1.04714 * 7 pKapp 9.05651 logklim -1.52313 logKconf 1.46824 +- 0.97300 * 8 pKapp 8.68826 logklim -1.19699 logKconf 1.84491 +- 0.87319 0 0 5.0711225758e-07 -2.7472756256e+00 -2.7472677963e+00 1.4570074708e+00 2 1 3.6568472406e-07 1.0539243262e+01 1.0539238751e+01 9.1148185476e-01 3 2 1.9338445247e-07 8.4364723396e-01 8.4364487661e-01 4.2272381282e-01 5 3 4.2686585797e-07 3.8355630426e-01 3.8355005106e-01 1.1906570756e+00 6 4 4.3226851601e-07 1.1190772945e+00 1.1190719789e+00 1.0471418910e+00 7 5 4.7128764583e-07 1.4682371526e+00 1.4682322527e+00 9.7299505974e-01 8 6 5.3634613323e-07 1.8449082749e+00 1.8449040317e+00 8.7318711399e-01 yzero = 7.81670518324738e-01 ymin = 7.81670518324016e-01 y-pmin = 7.81670518324239e-01 lexa.out.3 START SPECIAL OUTPUT fix pKe*=5, A=0, B=free - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 2285 number of data points 63 rms weighted error 1.17113e-01 parm 0 logk*,ref -0.85149 +- 0.31285 parm 1 pKe* 5.00000 fixed parm 2 pKe,ref 8.83211 +- 0.54033 parm 3 alpha 0.00000 fixed parm 4 beta 0.66870 +- 0.24629 * 5 pKapp 9.98305 logklim -2.59250 logKconf -1.73306 +- 0.29680 * 6 pKapp 9.40203 logklim -1.82542 logKconf -0.92518 +- 0.38149 * 7 pKapp 9.08708 logklim -1.50495 logKconf -0.54439 +- 0.42724 * 8 pKapp 8.65786 logklim -1.21183 logKconf -0.11149 +- 0.50623 0 0 1.4990924353e-06 -8.5148547257e-01 -8.5145111563e-01 3.1285151193e-01 2 1 3.4545595844e-06 8.8321087930e+00 8.8320533909e+00 5.4033006680e-01 4 2 4.5746670081e-06 6.6870399466e-01 6.6872720496e-01 2.4629125503e-01 5 3 2.9958887302e-06 -1.7330573073e+00 -1.7330877293e+00 2.9680010246e-01 6 4 1.4801900280e-06 -9.2518145386e-01 -9.2522147286e-01 3.8149372485e-01 7 5 1.3058274577e-06 -5.4439052335e-01 -5.4443676236e-01 4.2723934646e-01 8 6 1.9763374813e-06 -1.1149444498e-01 -1.1154807341e-01 5.0622691518e-01 yzero = 7.68062741662998e-01 ymin = 7.68062741462510e-01 y-pmin = 7.68062741461729e-01 lexa.out.4 START SPECIAL OUTPUT fix pKe*=5, A=free, B=0, 1 datum out - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 2854 number of data points 63 rms weighted error 1.09842e-01 parm 0 logk*,ref -2.06451 +- 0.44277 parm 1 pKe* 5.00000 fixed parm 2 pKe,ref 10.22243 +- 0.24211 parm 3 alpha 0.56162 +- 0.23760 parm 4 beta 0.00000 fixed * 5 pKapp 10.00496 logklim -2.57417 logKconf -0.18711 +- 0.44985 * 6 pKapp 9.46296 logklim -1.76760 logKconf 0.67648 +- 0.34515 * 7 pKapp 9.10875 logklim -1.49334 logKconf 1.07893 +- 0.29717 * 8 pKapp 8.66454 logklim -1.20854 logKconf 1.54580 +- 0.23327 0 0 1.7716119221e-05 -2.0645077249e+00 -2.0645006864e+00 4.4276557640e-01 2 1 6.8727886897e-06 1.0222433131e+01 1.0222430110e+01 2.4210760991e-01 3 2 1.1265906269e-05 5.6161976781e-01 5.6161406072e-01 2.3760119848e-01 5 3 1.7051359477e-05 -1.8710752843e-01 -1.8711462076e-01 4.4984991998e-01 6 4 1.1503050061e-05 6.7647838639e-01 6.7647449451e-01 3.4514986458e-01 7 5 8.3681027963e-06 1.0789291232e+00 1.0789259586e+00 2.9716807863e-01 8 6 3.8292021965e-06 1.5458004334e+00 1.5457995495e+00 2.3327033770e-01 yzero = 6.75659662419732e-01 ymin = 6.75659662373917e-01 y-pmin = 6.75659662373906e-01 lexa.out.5 START SPECIAL OUTPUT fix pKe*=5, A=0, B=free, 1 datum out - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 1676 number of data points 63 rms weighted error 1.08643e-01 parm 0 logk*,ref -1.00318 +- 0.17160 parm 1 pKe* 5.00000 fixed parm 2 pKe,ref 9.16039 +- 0.34810 parm 3 alpha 0.00000 fixed parm 4 beta 0.54372 +- 0.21000 * 5 pKapp 9.99919 logklim -2.57908 logKconf -1.56421 +- 0.16802 * 6 pKapp 9.45522 logklim -1.77428 logKconf -0.69049 +- 0.24514 * 7 pKapp 9.13921 logklim -1.47369 logKconf -0.29106 +- 0.28917 * 8 pKapp 8.64606 logklim -1.21791 logKconf 0.19412 +- 0.36869 0 0 3.1122953954e-06 -1.0031844868e+00 -1.0031534096e+00 1.7160057835e-01 2 1 4.6425593137e-06 9.1603867407e+00 9.1603264891e+00 3.4809686894e-01 4 2 5.3041987066e-06 5.4372236404e-01 5.4374967199e-01 2.1000413425e-01 5 3 1.0635261463e-06 -1.5642061225e+00 -1.5642373611e+00 1.6802484002e-01 6 4 2.0073595926e-06 -6.9048731545e-01 -6.9053307837e-01 2.4513840156e-01 7 5 4.1962651345e-06 -2.9106093501e-01 -2.9111309636e-01 2.8917495894e-01 8 6 5.5545467716e-06 1.9411618104e-01 1.9405060075e-01 3.6869409881e-01 yzero = 6.60985430545768e-01 ymin = 6.60985430105786e-01 y-pmin = 6.60985430106136e-01 lexa.out.6 START SPECIAL OUTPUT pKe* free, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 539 number of data points 63 rms weighted error 1.34952e-01 parm 0 logk*,ref -1.25642 +- 0.04180 parm 1 pKe* -6.87937 +- -1.00000 parm 2 pKe,ref 9.78012 +- 0.05090 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.76621 logklim -2.75776 logKconf -1.48742 +- 0.04687 * 6 pKapp 9.58254 logklim -1.69351 logKconf -0.23950 +- 0.05082 * 7 pKapp 9.24434 logklim -1.40591 logKconf 0.38629 +- 0.09544 * 8 pKapp 8.55297 logklim -1.28296 logKconf 1.20062 +- 0.11127 0 0 5.2547112300e-08 -1.2564248504e+00 -1.2564248714e+00 4.1803919724e-02 1 1 9.4549543284e-07 -6.8793749905e+00 -6.8795928830e+00 -1.0000000000e+00 2 2 1.0872058387e-07 9.7801223512e+00 9.7801222971e+00 5.0895603934e-02 5 3 1.2653793169e-07 -1.4874223653e+00 -1.4874223599e+00 4.6870479709e-02 6 4 1.2245634743e-07 -2.3949629354e-01 -2.3949634736e-01 5.0822220852e-02 7 5 1.4314424515e-07 3.8629452888e-01 3.8629441354e-01 9.5443570515e-02 8 6 1.8102664998e-07 1.2006196693e+00 1.2006196895e+00 1.1127493612e-01 yzero = 1.01987495708065e+00 ymin = 1.01987495708054e+00 y-pmin = 1.01987495708054e+00 lexa.out.7 START SPECIAL OUTPUT fix pKe*=5, A=0, B=0, 1 datum out - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 864 number of data points 63 rms weighted error 1.19731e-01 parm 0 logk*,ref -1.25777 +- 0.05015 parm 1 pKe* 5.00000 fixed parm 2 pKe,ref 9.86008 +- 0.08330 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.84407 logklim -2.69925 logKconf -1.42548 +- 0.09949 * 6 pKapp 9.62779 logklim -1.64050 logKconf -0.15044 +- 0.11222 * 7 pKapp 9.27116 logklim -1.38717 logKconf 0.45953 +- 0.12711 * 8 pKapp 8.55782 logklim -1.27998 logKconf 1.28017 +- 0.13784 0 0 1.1255294409e-06 -1.2577696175e+00 -1.2577691494e+00 5.0149925733e-02 2 1 2.4633056286e-06 9.8600764072e+00 9.8600763270e+00 8.3303795062e-02 5 2 3.1304588929e-06 -1.4254776605e+00 -1.4254781931e+00 9.9485053168e-02 6 3 3.4579260313e-06 -1.5043954790e-01 -1.5043987291e-01 1.1221554720e-01 7 4 2.5974027791e-06 4.5953387701e-01 4.5953514837e-01 1.2711018405e-01 8 5 4.8094109803e-06 1.2801651329e+00 1.2801626415e+00 1.3784436225e-01 yzero = 8.17129977144857e-01 ymin = 8.17129977106774e-01 y-pmin = 8.17129977106774e-01 lexa.out.8 START SPECIAL OUTPUT fix pKe*=2, A=0, B=0 - Wild-type: 0; QY92: 1; QF92: 2; QW92: 3 iteration number 508 number of data points 63 rms weighted error 1.33763e-01 parm 0 logk*,ref -1.25643 +- 0.05826 parm 1 pKe* 2.00000 fixed parm 2 pKe,ref 9.78011 +- 0.08411 parm 3 alpha 0.00000 fixed parm 4 beta 0.00000 fixed * 5 pKapp 9.76620 logklim -2.75777 logKconf -1.48743 +- 0.10703 * 6 pKapp 9.58253 logklim -1.69351 logKconf -0.23950 +- 0.12011 * 7 pKapp 9.24433 logklim -1.40591 logKconf 0.38629 +- 0.13724 * 8 pKapp 8.55297 logklim -1.28296 logKconf 1.20061 +- 0.15068 0 0 1.6821929663e-06 -1.2564254265e+00 -1.2564247965e+00 5.8262440456e-02 2 1 3.6632072182e-06 9.7801144256e+00 9.7801221598e+00 8.4109533856e-02 5 2 3.3178961243e-06 -1.4874291586e+00 -1.4874225485e+00 1.0702929078e-01 6 3 2.6975744647e-06 -2.3950373107e-01 -2.3949655805e-01 1.2010998646e-01 7 4 5.7021608062e-06 3.8629345308e-01 3.8629423889e-01 1.3723982576e-01 8 5 5.8273537360e-06 1.2006092732e+00 1.2006196050e+00 1.5067738811e-01 yzero = 1.01987495757554e+00 ymin = 1.01987495708047e+00 y-pmin = 1.01987495708047e+00 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