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ReadMe.txt August 1, 2014 Electrochemical Impedance Spectroscopy Data Analysis Software, ZSIMPWIN Bruno Yeum, Ph.D. EChem Software Ann Arbor, Michigan, USA www.echemsw.com Impedance data are modeled with an equivalent circuit. The values of the elements in the circuit providing the best fit to the data are determined by minimizing the chi-squared defined as the sum of the squares of the residuals. Optimization starts with an initial guess of these parameters. End results are used as the start values for the next iteration. ZSimpWin improves the start values and end results with successive iterations. Problem statement 1. Other commercial products are difficult to use. 2. Needs many trials to get desired solution. 3. Only highly skilled professionals can perform data analysis. 4. Hard to get solution for a complex circuit because determination of an adequate initial guess is extremely difficult. 5. Estimated parameters may not be the desired solution (not global minimum). 6. Cannot verify that estimated parameters are the desired solution. Main advantages of ZSimpWin 1. Runs on Windows XP/Vista/Win7. Excellent user interaface. 2. Multi-dimensional search is combined with an optimization method to find the global miniumum of the chi-squared. 3. Trials are performed by ZSimpWin. 4. Needs minimal expertise to run. 5. The user simply requests data analysis after specifying a model. 6. ZSimpWin starts with an initial guess (Autostart), performs compuations (improves solution iteratively), and then saves final results. 7. Determines the global minimum. 8. Multiple jobs can be processed in sequence (job = application of a model to a data set). Revision History 0. Setup_ZSimpWin_350.exe (August 1, 2014, Version 3.50): Minor bug fixes and updates. Princeton Applied Research, Oak Ridge, Tennessee, USA. - Clicking the "x" on the top-right corner did not close the window. Fixed this bug. - Support of MultiStat data format. - Removed obsolete parts in documents. ----------------------------------------------------------------- 0. Setup_ZSimpWin_350.exe (May 15, 2013, Version 3.50): Minor bug fixes and updates. Princeton Applied Research, Oak Ridge, Tennessee, USA. - V3.50 is the first release to extend the support of new OS (Vista, Win7 and Win8). - Provides two types of Help documents: HTMLHelp(*.chm) and WebHelp(browsable). - Fixed minor bugs. - Fixed problems in keeping registration key. ------------------------------------------------------------- 1. Setup_ZSimpWin_322.exe (January 15, 2010, Version 3.22): Minor bug fixes and updates. Princeton Applied Research, Oak Ridge, Tennessee, USA. - Fixed bugs detected when language was set other than English with Regional and Language Options - Added several technical documents. - Changed Help format from WinHelp to HTML Help (Windows Vista does not support WinHelp). - Changed axes labeling format. Units on the axes in a plot are enclosed in parentheses. For example, Z' (ohms), Z' (ohms-sqcm). - Monitor Mode - Execution statistics were not saved in previous versions. Start and end times are saved. ------------------------------------------------------------------------ 2. Setup_ZSimpWin_321.exe (January 1, 2005, Version 3.21): Bug fixes and updates. Princeton Applied Research, Oak Ridge, Tennessee, USA. - Changed program installation folder setup and management routines (now it is checked at program start-up). - Increased computatuional efficiency by reducing the number of starting points for multistart global search. Execution time was reduced about 25 percents. - Added display of the statistics on the uncertainties of estimated parameters in the main window. The number of parameters above an acceptable level (default 20 pct), and the number above a very high level (default 1000 pct) are displayed below chi-squared value. These levels can be user-defined from the "Options" menu. - Improved the performance of Mechanistic Menu items. - Fixed bugs in running in Monitor mode. It did not work properly for inputs of negative parameters. - Fixed a bug in using Scientific format to print floating numbers in parameter output. - Fixed bugs in Batch processing. Proper error messages were not displayed. Corrected problems and increased matrix size from 10*4 to 15*6. Max. number of files = 15, Max. number of models = 6. Changed the items displayed in batch processing summary. New items displayed are (a) Standard deviations of data points, (b) the number of parameters above an acceptable level, and (c) the number of parameters above a very high level. These numbers are shown in the form "3/9", indicating 3 are above this level among 9 fitted parameters. See Tech Note 41. - Corrected a notation error. Changed the "variance" to "rel. std. error". rel. std. % error = 100 * std. error / parameter. - Fixed a bug at the 0th iteration calulation in Unity weighting. It is necessary to calculate with modulus weighting, and then recalculate after switching to unity weighting. This additional step is required because of high probability of divergence with unity weighting at the 0th iteration. In previous versions, the chi-squared obtained with modulus weighting was taken as the local minimum at the 0th iteration. - Fixed a bug in adding proper amount of errors in Simulate mode. When simulated data were fit to the model the data were generated, a smaller error was reported. Slightly larger error is expected to be obtained with the best fit, because fitting errors are included as a part of the estimated error. - Parameter input area for Simulate Mode examples was not wide enough for some numbers. Increased its width. - Boundaries of chart rectangle appeared as solid lines in some pasted plots (covariance, mechanistic). Removed these lines. - Changed simulation frequency interval to 8 intervals in a decade so that impedance values are calculated at 100k, 10k, 1k, ...., 100m, 10m, 1m. - Revised "Tech Note 37 - Least Squares Fit Fomulation for EIS Data Analysis" - Revised "Tech Note 40 - Displaying Covariance Matrix in Two Dimensions" - Added "Tech Note 41 - Batch Processing Updates". - Added "Tech Note 42 - Calculation of Overall Impedance". - Added "Tech Note 44 - Application of Downhill Simplex Method" - Added "Tech Note 46 - ZSimpWin Execution Statistics" -------------------------------------------------------------------------- 3. Disk1, Disk2, ..., Disk13 (February 15, 2004, Version 3.20): Bug fixes and updates. Princeton Applied Research, Oak Ridge, Tennessee, USA. - Displays frequency labels on Nyquist, Admittance, and Capacitance plots. - Improved the appearance of output. Consistent appearnce in various output. - Changed "Print item selection" dialog box. Allows separate selection of 2 or 4 plot styles. Prints 2 selected plot styles in Portrait orientation. Prints 4 plot styles in Landscape orientation. - Iterate Mode - Improved the operation of User Input option. Made it easier to change the signs, the values, and the status of the parameters in the rough initial guess. - Simulate Mode - Displays typical values instead of "1" for the parameters associated with an equivalent circuit at start-up. - Monitor Mode - Improved presentation. Can view all the steps from beginning to end. - Displays covariance matrix. Can examine the effects of selected two parameters in graphics form. - Focussed (zoomed) area can be copied to Windows clipboard, saved as a plot, or sent to printer. - Errors