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ppmfit 1.1.0

Company: JPG Malthouse
Date Added: June 28, 2013  |  Visits: 226

ppmfit

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This program can be used to fit pKa values to pH dependent data where the data titrates from one value to another e.g. ppm data, absorbance data, fluorescence data, Ki and Km data etc.<br /><br />This program fits and plots data to the equations:-<br /><br />If one pKa only<br />Sobs=S1(1+K1/H)+S2/(1+H/K1)<br />or Sobs=S2(R+K1/H)/(1+H/K1)<br />R=S1/S2<br /><br />If two pKa values<br />Sobs=S1*AH2 + S2*AH + A*S3<br />Sobs=(S1*H^2+S2*KA*H+S3*KA*KB) / (H^2+KA*H+KA*KB)<br />or Sobs=S1(1+R1*K1/H+R2*K1*K2/H/H)/(1+K1/H+K1*K2/H/H)<br /><br />When "Fit " is selected you must input the initial estimates of ppm (S1 and S2 or S1, S2 and S3) and the pKa (PK1 or pK1 and PK2) values. The experimental data is then fitted using an iterative, non linear least-squares regression program. Note the two pKa fit is a five parameter fit and so it requires good data and good estimates to fit the data.<br /><br />Results can be printed, saved as a text document or copied and pasted into other applications such as Word.

Requirements: No special requirements
Platforms: Mac, Mac OS X v10.6
Keyword: Applications Copied Dataresults Document Estimates Experimental Fitted Initial Input Iterative Leastsquares Linear Parameter Pasted Printed Regression Requires Saved
Users rating: 0/10

License: Commercial Size: 1.7 MB
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