QtiPlot 0.9.0 project file muParser 6 Table1 17 6 4/9/08 10:09 AM geometry 11 11 710 342 header pH[X] AndyF[Y] Andy-SD[Y] EricF[Y] MergeF[Y] Merge-SD[Y] ColWidth 100 100 100 100 100 100 ColType 0;0/16 0;0/16 0;0/16 0;0/16 0;0/16 0;0/16 Comments WindowLabel 2 0 1 0.51 0.51 1 1.5 0.7 0.01 0.7 0.01 2 2 1 0.06 1 1 0.05 3 2.5 0.96 0.01 0.96 0.01 4 3 0.88 0.04 0.9399999999999999 0.9 0.04 5 3.5 0.75 0.01 0.75 0.01 6 4 0.75 0.01 0.73 0.73 0.01 7 4.5 0.6899999999999999 0.03 0.6899999999999999 0.03 8 5 0.72 0.04 0.65 0.7 0.05 9 5.5 0.65 0.01 0.65 0.01 10 6 0.65 0.03 0.65 0.65 0.03 11 6.5 0.67 0.02 0.67 0.02 12 7 0.66 0.02 0.65 0.65 0.03 13 7.5 14 8 0.61 0.61 15 8.5 0.64 0.04 0.64 0.04 16 9 0.71 0.01 0.61 0.6899999999999999 0.06

Graph3 1 1 4/9/08 4:01 PM geometry 4 11 652 532 hidden WindowLabel 2 Margins 5 5 5 5 Spacing 5 5 LayerCanvasSize 570 385 Alignement 0 0 ggeometry 5 5 633 467 PlotTitle Title #000000 4228 1 Background #ffffff 255 Margin 0 Border 0 #000000 grid 0 0 0 0 #0000ff 0 0 #a0a0a4 2 0 #0000ff 0 0 #a0a0a4 2 0 0 0 2 0 EnabledAxes 1 0 1 0 AxesTitles X Axis Title Y Axis Title AxesTitleColors #000000 #000000 #000000 #000000 AxesTitleAlignment 132 4 132 4 TitleFont Sans Serif 14 75 0 0 0 ScaleFont0 Sans Serif 11 75 0 0 0 ScaleFont1 Sans Serif 11 75 0 0 0 ScaleFont2 Sans Serif 11 75 0 0 0 ScaleFont3 Sans Serif 11 75 0 0 0 AxisFont0 Sans Serif 11 50 0 0 0 AxisFont1 Sans Serif 11 50 0 0 0 AxisFont2 Sans Serif 11 50 0 0 0 AxisFont3 Sans Serif 11 50 0 0 0 EnabledTickLabels 1 1 1 1 AxesColors #000000 #000000 #000000 #000000 AxesNumberColors #000000 #000000 #000000 #000000 AxesBaseline 0 0 0 0 CanvasBackground #ffffff 255 curve Table1_pH Table1_AndyF 1 0 0 0 1 7 1 0 0 0 0 14 1 2 0 0 16 1 curve Table1_pH Table1_MergeF 1 0 1 0 1 7 2 1 1 0 0 14 1 2 0 0 16 1 FunctionCurve 0,NonLinearFit1,(1-((10^x)/((10^3.20932898729521)+(10^x))))*1.02240923969356+((10^x)/((10^3.20932898729521)+(10^x)))*0.65837790103625,x,2,9 100 0 1 1 0 1 0 0 0 19 0 0 14 0 2 0 0 1073741824 1 ErrorBars 1 Table1_pH Table1_MergeF Table1_Merge-SD 1 8 #000000 1 1 1 scale 0 0.4 1.1 0 8 5 0 0 scale 1 0.4 1.1 0 8 5 0 0 scale 2 0 10 0 8 5 0 0 scale 3 0 10 0 8 5 0 0 LabelsFormat 0 4 0 4 0 4 0 4 AxisType 0 0 0 0 MajorTicks 1 1 1 1 MinorTicks 1 1 1 1 TicksLength 5 9 DrawAxesBackbone 1 AxesLineWidth 1 LabelsRotation 0 0 5.15222482435597 1.01904761904762 Sans Serif 11 50 0 0 0 #000000 1 0 #ffffff 0 \c{1}Table1_AndyF \c{2}Table1_MergeF \c{3}NonLinearFit1 Graph4 1 1 5/14/08 1:37 PM geometry 162 -16 665 507 active WindowLabel 2 Margins 5 5 5 5 Spacing 5 5 LayerCanvasSize 436 299 Alignement 0 0 ggeometry 5 5 644 442 PlotTitle Trpcage16b-Y3F pH Titration #000000 4 1 Background #ffffff 255 Margin 0 Border 0 #000000 grid 0 0 0 0 #0000ff 0 0 #a0a0a4 2 0 #0000ff 0 0 #a0a0a4 2 0 0 0 2 0 EnabledAxes 1 0 1 0 AxesTitles pH normalized F AxesTitleColors #000000 #000000 #000000 #000000 AxesTitleAlignment 4 4 4 4 TitleFont Sans Serif 13 75 0 0 0 ScaleFont0 Sans Serif 11 75 0 0 0 ScaleFont1 Sans Serif 11 75 0 0 0 ScaleFont2 Sans Serif 11 75 0 0 0 ScaleFont3 Sans Serif 11 75 0 0 0 AxisFont0 Sans Serif 11 50 0 0 0 AxisFont1 Sans Serif 11 50 0 0 0 AxisFont2 Sans Serif 11 50 0 0 0 AxisFont3 Sans Serif 11 50 0 0 0 EnabledTickLabels 1 1 1 1 AxesColors #000000 #000000 #000000 #000000 AxesNumberColors #000000 #000000 #000000 #000000 AxesBaseline 0 0 0 0 CanvasBackground #ffffff 255 curve Table1_pH Table1_MergeF 1 0 0 0 1 7 1 0 0 0 0 14 1 2 0 0 16 1 ErrorBars 1 Table1_pH Table1_MergeF Table1_Merge-SD 1 8 #000000 1 1 1 FunctionCurve 0,NonLinearFit1,(1-((10^x)/((10^3.20932898795688)+(10^x))))*1.02240923960291+((10^x)/((10^3.20932898795688)+(10^x)))*0.658377901013179,x,1,9 100 0 1 0 0 1 0 0 0 19 0 0 14 0 2 0 0 1072693248 1 scale 0 0 1.1 0 8 5 0 0 scale 1 0 1.1 0 8 5 0 0 scale 2 0 10 0 8 5 0 0 scale 3 0 10 0 8 5 0 0 LabelsFormat 0 4 0 4 0 4 0 4 AxisType 0 0 0 0 MajorTicks 1 1 1 1 MinorTicks 1 1 1 1 TicksLength 5 9 DrawAxesBackbone 1 AxesLineWidth 1 LabelsRotation 0 0 Graph5 1 1 5/14/08 3:10 PM geometry 458 138 665 507 minimized WindowLabel 2 Margins 5 5 5 5 Spacing 5 5 LayerCanvasSize 400 300 Alignement 0 0 ggeometry 5 5 644 442 PlotTitle Trpcage16b-Y3F pH Titration #000000 4 1 Background #000000 255 Margin 0 Border 0 #000000 grid 0 0 0 0 #0000ff 0 0 #a0a0a4 2 0 #0000ff 0 0 #a0a0a4 2 0 0 0 2 0 EnabledAxes 1 0 1 0 AxesTitles pH normalized F (F/F_pH=2) AxesTitleColors #ffffff #000000 #ffffff #000000 AxesTitleAlignment 4 4 4 4 TitleFont Sans Serif 13 75 0 0 0 ScaleFont0 Sans Serif 11 75 0 0 0 ScaleFont1 Bitstream Vera Sans 12 75 0 0 0 ScaleFont2 Sans Serif 11 75 0 0 0 ScaleFont3 Bitstream Vera Sans 12 75 0 0 0 AxisFont0 Sans Serif 11 50 0 0 0 AxisFont1 Bitstream Vera Sans 10 50 0 0 0 AxisFont2 Sans Serif 11 50 0 0 0 AxisFont3 Bitstream Vera Sans 10 50 0 0 0 EnabledTickLabels 1 1 1 1 AxesColors #ffffff #000000 #ffffff #000000 AxesNumberColors #ffffff #000000 #ffffff #000000 AxesBaseline 0 0 0 0 CanvasBackground #000000 255 curve Table1_pH Table1_MergeF 1 0 0 0 1 7 1 0 17 0 0 14 1 2 0 0 16 1 ErrorBars 1 Table1_pH Table1_MergeF Table1_Merge-SD 1 8 #ffffff 1 1 1 FunctionCurve 0,NonLinearFit1,(1-((10^x)/((10^3.20932898795688)+(10^x))))*1.02240923960291+((10^x)/((10^3.20932898795688)+(10^x)))*0.658377901013179,x,1,9 100 0 1 17 0 1 0 0 0 19 0 0 14 0 2 0 0 1072693248 1 scale 0 0 1.1 0 8 5 0 0 scale 1 0 1.1 0 8 5 0 0 scale 2 0 10 0 8 5 0 0 scale 3 0 10 0 8 5 0 0 LabelsFormat 0 4 0 4 0 4 0 4 AxisType 0 0 0 0 MajorTicks 1 1 1 1 MinorTicks 1 1 1 1 TicksLength 5 9 DrawAxesBackbone 1 AxesLineWidth 1 LabelsRotation 0 0 Table2 30 5 7/16/08 8:36 PM geometry 699 22 532 254 header pH[X] y3f[Y] D8Nva[Y] Y3F-SD[Y] D8Nva-SD[Y] ColWidth 100 100 100 100 100 ColType 0;0/16 0;0/16 0;0/16 0;0/16 0;0/16 Comments WindowLabel 2 0 1.5 0.7 0.01 1 2 1 0.73 0.05 2 2.5 0.96 0.01 3 3 0.9 0.79 0.04 0.02 4 3.5 0.75 0.01 5 4 0.73 0.89 0.01 6 4.5 0.6899999999999999 0.03 7 5 0.7 1 0.05 8 5.5 0.65 0.01 9 6 0.65 0.03 10 6.5 0.67 0.02 11 7 0.65 0.98 0.03 0.01 12 7.5 13 8 0.61 14 8.5 0.64 0.04 15 9 0.6899999999999999 0.06

Graph6 1 1 7/16/08 8:39 PM geometry 275 -6 508 434 WindowLabel 2 Margins 5 5 5 5 Spacing 5 5 LayerCanvasSize 436 299 Alignement 0 0 ggeometry 5 5 489 369 PlotTitle Trpcage Titration #000000 4 1 Background #ffffff 255 Margin 0 Border 0 #000000 grid 0 0 0 0 #0000ff 0 0 #a0a0a4 2 0 #0000ff 0 0 #a0a0a4 2 0 0 0 2 0 EnabledAxes 1 0 1 0 AxesTitles pH Normalized Fluorescence AxesTitleColors #000000 #000000 #000000 #000000 AxesTitleAlignment 4 4 4 4 TitleFont Sans Serif 11 75 0 0 0 ScaleFont0 Sans Serif 9 75 0 0 0 ScaleFont1 Sans Serif 9 75 0 0 0 ScaleFont2 Sans Serif 9 75 0 0 0 ScaleFont3 Sans Serif 9 75 0 0 0 AxisFont0 Sans Serif 9 50 0 0 0 AxisFont1 Sans Serif 9 50 0 0 0 AxisFont2 Sans Serif 9 50 0 0 0 AxisFont3 Sans Serif 9 50 0 0 0 EnabledTickLabels 1 1 1 1 AxesColors #000000 #000000 #000000 #000000 AxesNumberColors #000000 #000000 #000000 #000000 AxesBaseline 0 0 0 0 CanvasBackground #ffffff 255 curve Table2_pH Table2_y3f 1 0 0 0 1 7 1 0 0 0 0 14 1 2 0 0 29 1 curve Table2_pH Table2_D8Nva 1 0 1 0 1 7 2 1 1 0 0 14 1 2 0 0 29 1 FunctionCurve 0,NonLinearFit1,(1-((10^x)/((10^3.20932898795688)+(10^x))))*1.02240923960291+((10^x)/((10^3.20932898795688)+(10^x)))*0.658377901013179,x,2,9 100 0 1 0 0 1 0 0 0 19 0 0 14 0 2 0 0 1073741824 1 ErrorBars 1 Table2_pH Table2_y3f Table2_Y3F-SD 1 8 #000000 1 1 1 ErrorBars 1 Table2_pH Table2_D8Nva Table2_D8Nva-SD 1 8 #ff0000 1 1 1 scale 0 0 1.1 0 7 5 0 0 scale 1 0 1.1 0 8 5 0 0 scale 2 1 10 0 8 5 0 0 scale 3 1 10 0 8 5 0 0 LabelsFormat 0 4 0 4 0 4 0 4 AxisType 0 0 0 0 MajorTicks 1 1 1 1 MinorTicks 1 1 1 1 TicksLength 5 9 DrawAxesBackbone 1 AxesLineWidth 1 LabelsRotation 0 0 6.54332552693208 0.342140468227425 Sans Serif 9 50 0 0 0 #000000 1 0 #ffffff 0 \c{1}trpcage16b \c{3}pKa=3.2 \c{2}Trpcage16b-Nva [4/9/08 10:23 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_2, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: Instrumental, using error bars dataset: Table1_3 Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 A1 (init value) = 0.51 +/- nan A2 (final value) = 1 +/- nan x0 (center) = 4.5 +/- nan dx (time constant) = 1 +/- nan -------------------------------------------------------------------------------------- Chi^2/doF = inf R^2 = -inf --------------------------------------------------------------------------------------- Iterations = 1 Status = the iteration has not converged yet --------------------------------------------------------------------------------------- [4/9/08 10:25 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_2, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 7 A1 (init value) = 1.0736956302385 +/- 3.40624508268592 A2 (final value) = 0.664013481773775 +/- 0.549872834549876 x0 (center) = 2.99402475663356 +/- 12.479759145882 dx (time constant) = 0.600363662856843 +/- 7.7376511735665 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000672603999377596 R^2 = 0.97074974135769 --------------------------------------------------------------------------------------- Iterations = 15 Status = success --------------------------------------------------------------------------------------- [4/9/08 10:26 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_2, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 8.5 A1 (init value) = 0.803348778013057 +/- 0.47500163500411 A2 (final value) = 0.660221856757121 +/- 0.464516267217869 x0 (center) = 4.19763325142527 +/- 8.24888482261526 dx (time constant) = 0.331785045932278 +/- 7.15854666115914 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0171401014372207 R^2 = 0.25313137626104 --------------------------------------------------------------------------------------- Iterations = 30 Status = success --------------------------------------------------------------------------------------- [4/9/08 10:26 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_2, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 8.5 A1 (init value) = 0.803349298512142 +/- 0.47498524049821 A2 (final value) = 0.660225630336229 +/- 0.464481285724663 x0 (center) = 4.19752697723662 +/- 8.24793393537655 dx (time constant) = 0.331718901805098 +/- 7.15765006984633 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0171401014054903 R^2 = 0.253131377643674 --------------------------------------------------------------------------------------- Iterations = 1 Status = success --------------------------------------------------------------------------------------- [4/9/08 10:26 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_2, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 8.5 A1 (init value) = 1.0991766677184 +/- 4.30762821170868 A2 (final value) = 0.656837303015312 +/- 0.521359622452467 x0 (center) = 2.92921835542105 +/- 15.8029883458837 dx (time constant) = 0.678721350233993 +/- 8.58880088760448 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000640227720970839 R^2 = 0.970659795105404 --------------------------------------------------------------------------------------- Iterations = 15 Status = success --------------------------------------------------------------------------------------- [4/9/08 10:28 AM Plot: ''Graph2''] Boltzmann (Sigmoidal) Fit of dataset: Table1_4, using function: A2+(A1-A2)/(1+exp((x-x0)/dx)) Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 A1 (init value) = 1.0089637514568 +/- 1.27274257389108 A2 (final value) = 0.630991542631489 +/- 0.476179915535997 x0 (center) = 3.59457087287508 +/- 6.32117678333319 dx (time constant) = 0.408468759629054 +/- 4.58374566474497 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000408498533966207 R^2 = 0.990097005237183 --------------------------------------------------------------------------------------- Iterations = 15 Status = success --------------------------------------------------------------------------------------- [4/9/08 10:59 AM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_EricF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.01338855350873 +/- 1.00176233150311 Fha = 0.630165954925926 +/- 0.459198686980873 pKa = 3.58169831818841 +/- 5.88835270647473 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000331945188371627 R^2 = 0.989941054897829 --------------------------------------------------------------------------------------- Iterations = 14 Status = success --------------------------------------------------------------------------------------- [4/9/08 11:01 AM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 Fa = -7,259.10446541148 +/- 3,690,619,161.24191 Fha = 0.748729002311893 +/- 0.279112603940268 pKa = -3.56221155821443 +/- 220,783.791451771 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0159637056548958 R^2 = 0.166724562730182 --------------------------------------------------------------------------------------- Iterations = 148 Status = the iteration has not converged yet --------------------------------------------------------------------------------------- [4/9/08 11:01 AM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02581949413891 +/- 1.10809815748825 Fha = 0.672872625702146 +/- 0.355557830558241 pKa = 3.12506919701794 +/- 5.29856068102114 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000764732556680554 R^2 = 0.956591025950366 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [4/9/08 11:01 AM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_EricF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.01339071396344 +/- 1.0017742549647 Fha = 0.630166506460592 +/- 0.459197755873506 pKa = 3.5816777744328 +/- 5.88837077304217 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000331945190577724 R^2 = 0.989941054830978 --------------------------------------------------------------------------------------- Iterations = 4 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:12 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02581949413891 +/- 1.10809815748825 Fha = 0.672872625702146 +/- 0.355557830558241 pKa = 3.12506919701794 +/- 5.29856068102114 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000764732556680554 R^2 = 0.956591025950366 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:12 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 7 Fa = 1.02547403026143 +/- 1.1080795921427 Fha = 0.672147841485644 +/- 0.411588646347272 pKa = 3.12898940202689 +/- 5.39405141839157 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000648141031226738 R^2 = 0.967786958800433 --------------------------------------------------------------------------------------- Iterations = 2 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:12 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 7 Fa = 1.02547305573346 +/- 1.10807334554089 Fha = 0.67214764836468 +/- 0.411589047034759 pKa = 3.12899574414134 +/- 5.39405023909734 -------------------------------------------------------------------------------------- Chi^2/doF = 0.00064814103104656 R^2 = 0.967786958809388 --------------------------------------------------------------------------------------- Iterations = 1 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:13 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 8.5 Fa = 1.0232069406723 +/- 1.08131046371648 Fha = 0.66743573475951 +/- 0.381902410622557 pKa = 3.15463649965045 +/- 5.24339588676028 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000674166644130777 R^2 = 0.965242506412964 --------------------------------------------------------------------------------------- Iterations = 3 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:16 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 Fa = -7,259.10446541148 +/- 3,690,619,161.24191 Fha = 0.748729002311893 +/- 0.279112603940268 pKa = -3.56221155821443 +/- 220,783.791451771 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0159637056548958 R^2 = 0.166724562730182 --------------------------------------------------------------------------------------- Iterations = 148 Status = the iteration has not converged yet --------------------------------------------------------------------------------------- [4/9/08 1:16 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 18,983.9666679643 +/- 4,526,324,477.82405 Fha = 0.70907661401942 +/- 0.328235016062265 pKa = -2.73417898740062 +/- 103,554.663830285 -------------------------------------------------------------------------------------- Chi^2/doF = 0.00601504166700456 R^2 = 0.658564572216142 --------------------------------------------------------------------------------------- Iterations = 20 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:17 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02581949413891 +/- 1.10809815748825 Fha = 0.672872625702146 +/- 0.355557830558241 pKa = 3.12506919701794 +/- 5.29856068102114 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000764732556680554 R^2 = 0.956591025950366 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [4/9/08 1:17 PM Plot: ''Graph2''] Non-linear Fit of dataset: Table1_EricF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.01339071396344 +/- 1.0017742549647 Fha = 0.630166506460592 +/- 0.459197755873506 pKa = 3.5816777744328 +/- 5.88837077304217 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000331945190577724 R^2 = 0.989941054830978 --------------------------------------------------------------------------------------- Iterations = 4 Status = success --------------------------------------------------------------------------------------- [4/9/08 4:02 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_MergeF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 Fa = -6,422.02802443714 +/- 3,440,631,332.65639 Fha = 0.735303632344445 +/- 0.275241660781568 pKa = -3.54978811068369 +/- 232,655.88226281 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0169013102613213 R^2 = 0.127327838756123 --------------------------------------------------------------------------------------- Iterations = 142 Status = the iteration has not converged yet --------------------------------------------------------------------------------------- [4/9/08 4:02 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02581949413891 +/- 1.10809815748825 Fha = 0.672872625702146 +/- 0.355557830558241 pKa = 3.12506919701794 +/- 5.29856068102114 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000764732556680554 R^2 = 0.956591025950366 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [4/9/08 4:03 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_MergeF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 Fa = -6,422.02802443714 +/- 3,440,631,332.65639 Fha = 0.735303632344445 +/- 0.275241660781568 pKa = -3.54978811068369 +/- 232,655.88226281 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0169013102613213 R^2 = 0.127327838756123 --------------------------------------------------------------------------------------- Iterations = 142 Status = the iteration has not converged yet --------------------------------------------------------------------------------------- [4/9/08 4:03 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_AndyF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 86,086.3730720325 +/- 4,449,172,750.96194 Fha = 0.709076783353885 +/- 0.300894371547399 pKa = -3.39074529214806 +/- 22,445.4559653424 -------------------------------------------------------------------------------------- Chi^2/doF = 0.00601508570966547 R^2 = 0.658562072196092 --------------------------------------------------------------------------------------- Iterations = 13 Status = success --------------------------------------------------------------------------------------- [4/9/08 4:04 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_MergeF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 1 to x = 9 Fa = -11,183.5297702873 +/- 5,363,432,843.61424 Fha = 0.735303700077274 +/- 0.271866633107264 pKa = -3.79067554380866 +/- 208,269.395467185 -------------------------------------------------------------------------------------- Chi^2/doF = 0.0169012972407351 R^2 = 0.127328511053294 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [4/9/08 4:05 PM Plot: ''Graph3''] Non-linear Fit of dataset: Table1_MergeF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02240923969356 +/- 1.03016349691051 Fha = 0.65837790103625 +/- 0.337940304099283 pKa = 3.20932898729521 +/- 4.94255795379293 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000660476054638435 R^2 = 0.964412262547035 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [5/14/08 1:39 PM Plot: ''Graph4''] Non-linear Fit of dataset: Table1_MergeF, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02240923960291 +/- 1.03016349732898 Fha = 0.658377901013179 +/- 0.33794030439911 pKa = 3.20932898795688 +/- 4.94255795476502 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000660476054638435 R^2 = 0.964412262547035 --------------------------------------------------------------------------------------- Iterations = 12 Status = success --------------------------------------------------------------------------------------- [7/16/08 8:40 PM Plot: ''Graph6''] Non-linear Fit of dataset: Table2_y3f, using function: (1-((10^x)/((10^pKa)+(10^x))))*Fa+((10^x)/((10^pKa)+(10^x)))*Fha Weighting Method: No weighting Scaled Levenberg-Marquardt algorithm with tolerance = 0.0001 From x = 2 to x = 9 Fa = 1.02240923960291 +/- 1.03016349732898 Fha = 0.658377901013179 +/- 0.33794030439911 pKa = 3.20932898795688 +/- 4.94255795476502 -------------------------------------------------------------------------------------- Chi^2/doF = 0.000660476054638435 R^2 = 0.964412262547035 --------------------------------------------------------------------------------------- Iterations = 12 Status = success ---------------------------------------------------------------------------------------