StochFit utilizes stochastic fitting methods to model specular x-ray reflectivity or neutron reflectivity data. It provides an easy to use graphical user interface for both model dependent and model independent methods.
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Full data is displayed and written to file regardless of the Q offsets Unused MD parameters are now "greyed" out MI fit for transparent media is 32% faster than version 1.6.4 itextsharp (pdf library) was updated to version 4.1.2 ZedGraph was upgraded to the 5.1.4, added to the StochFit source and modified to fix a bug with high quality copies of graphs Removed the Fresnel objective function from the MI routines Updated to .NET 3.5 The percentages of MI iterations to spend on the roughness, imperfect normalization, and absorption search are now separately specifiable. The default is 10% for each option selected The MD reflectivity fitting and constrained MD reflectivity fitting have been combined into the same section. When no constraints are specified, the unconstrained minimization (which is faster) is performed Reorganization of the code to ease maintenance Reorganization of the code that generates the reflectivity.This will allow us to interchange methods of generating fits to XR data. Previous fits are now stored in a buffer so the user can see what they have been doing The pdf report information and mastergraph are only updated from the MD routines if the user actively saves the fit. Similarly, the user now must specify a file name and location for MD fits. Added missing DLL
http://stochfit.sourceforge.net/forum/viewtopic.php?f=2&t=3
Version 1.6.4 * Fixed bug in MD routines where multiple roughnesses and normalization fluctuation was specified * Fixed normalization constant was not respected by the Stochastic MD output window * Fixed small graphing bug * Updated random number generator from MD to Mersenne twister * Should work on Vista 64 Version 1.6.3 *Fixed stochastic fit not working properly Version 1.6.1 Change Log * Graphing fixes * SLD only fixes * Slight speed increase in MD routines * Fixed occasional hang (hopefully) * Internal Changes to improve stability * Initial parameter step value (parameter temperature) can now be selected * SLD can now be used instead of normalized electron density * Added data patching Version 1.5 Change Log * versions 1.3 and 1.4 were internal * Updated levmar to version 2.2 - several very small bugs fixed * Updated itextsharp to version 4.0.8 * Added ED graph for model dependent fitting * Fixed pdf report and added more information for model dependent fits * Mastergraph now has publication quality graphs with transparency for overlaying * default points per Angstrom is now 3 * default amount of subphase length is 40 * default fitness function is log error * Fixed incorrect absorption calculation * added option for debugging * added adaptive ability to STUN to the GUI * separated STUN and SA dialogs * choice of tunneling algorithms * numerous small bug fixes * Can resume between runs * Improved error handling * Fitting from previous versions cannot be resumed. * calculation ~ 21% faster for absorbing films and ~ 12% faster for non absorbing under standard parameters * larger super and subphases for very rough films affect the calculation less * Fixed SLD calculator error with using bulk densities (thanks Luka) * Added XR only option to reject fits with negative electron density * Negative points in the data file are now ignored, and those files now load * Fixed problem with loading the data files when there are extra lines at the end * fitness scores are now divided by the number of data points * fixed localization issues. Now our European, South American, and Indian friends can fit data without problems * fixed graph issues * cleaned up statistical error issues * cleaned up file names and locations. Instead of deleting old fits, they are moved to a new folder Version 1.2 - 10/31/2007 Change Log * IMPORTANT - You will not be able to resume runs created with previous versions. * Renamed the project to StochFit. This better captures the nature of the algorithms. * Implemented consistent Chi square values throughout StochFit. Previously the Chi square reported in the model independent screen was the fit function, which was not necessarily a Chi square . The reflectivity Chi square values are reduced Chi squares of R/Rf. The Chi square of the electron density profile fit is just a least squares difference as there are no errors in that case. * Improved graph zoom behavior when errors are very large. * More options for the objective function in the model independent fit. * Updated pdf and graphing library libraries. * Added Simulated Annealing and Stochastic Tunneling optimization algorithms for model independent fits. These are slower but more effective for finding alternate solutions * Small optimization algorithm improvements including the ability to easily resume from annealing * Increased speed of the model independent algorithm (depending on options and hardware) between 15 and 300 percent. * Better random number generation and behavior. * Fixed stochastic model dependent fit crash on multi processor systems. * Improved cutting and pasting of graphs Version 1.1 - 10/1/2007 Change Log * Fixed pdf report parameters to be consistent * Added Levenberg-Marquardt fit convergence details * Fixed error estimation problem * Model dependent box fit with constraints is now available Version 1.0 - Initial Release
Version 1.5 Change Log * versions 1.3 and 1.4 were internal * Updated levmar to version 2.2 - several very small bugs fixed * Updated itextsharp to version 4.0.8 * Added ED graph for model dependent fitting * Fixed pdf report and added more information for model dependent fits * Mastergraph now has publication quality graphs with transparency for overlaying * default points per Angstrom is now 3 * default amount of subphase length is 40 * default fitness function is log error * Fixed incorrect absorption calculation * added option for debugging * added adaptive ability to STUN to the GUI * separated STUN and SA dialogs * choice of tunneling algorithms * numerous small bug fixes * Can resume between runs * Improved error handling * Fitting from previous versions cannot be resumed. * calculation ~ 21% faster for absorbing films and ~ 12% faster for non absorbing under standard parameters * larger super and subphases for very rough films affect the calculation less * Fixed SLD calculator error with using bulk densities (thanks Luka) * Added XR only option to reject fits with negative electron density * Negative points in the data file are now ignored, and those files now load * Fixed problem with loading the data files when there are extra lines at the end * fitness scores are now divided by the number of data points * fixed localization issues. Now our European, South American, and Indian friends can fit data without problems * fixed graph issues * cleaned up statistical error issues * cleaned up file names and locations. Instead of deleting old fits, they are moved to a new folder Version 1.2 - 10/31/2007 Change Log * IMPORTANT - You will not be able to resume runs created with previous versions. * Renamed the project to StochFit. This better captures the nature of the algorithms. * Implemented consistent Chi square values throughout StochFit. Previously the Chi square reported in the model independent screen was the fit function, which was not necessarily a Chi square . The reflectivity Chi square values are reduced Chi squares of R/Rf. The Chi square of the electron density profile fit is just a least squares difference as there are no errors in that case. * Improved graph zoom behavior when errors are very large. * More options for the objective function in the model independent fit. * Updated pdf and graphing library libraries. * Added Simulated Annealing and Stochastic Tunneling optimization algorithms for model independent fits. These are slower but more effective for finding alternate solutions * Small optimization algorithm improvements including the ability to easily resume from annealing * Increased speed of the model independent algorithm (depending on options and hardware) between 15 and 300 percent. * Better random number generation and behavior. * Fixed stochastic model dependent fit crash on multi processor systems. * Improved cutting and pasting of graphs Version 1.1 - 10/1/2007 Change Log * Fixed pdf report parameters to be consistent * Added Levenberg-Marquardt fit convergence details * Fixed error estimation problem * Model dependent box fit with constraints is now available Version 1.0 - Initial Release
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