What's new in SASfit 0.94.6
Dec 15, 2014
- improved analysis of confidence intervals of fit parameters
- clickable correlation coefficients in the matrix highlight associated pair of fit parameters
- covariance matrix elements are highlighted according to their correlation coefficient
- highlighting and selection of correlated params improved
New in SASfit 0.94.5 (Oct 4, 2014)
- storing intensity and size distribution in batch processing routine
- changed the width of the error bar, assuming that the supplied error is FWHM
- changed the internal procedure for plotting error bars
- resolution parameter can now also be plotted
- changed the order of plotting the fit results in "integral structural parameters"
- interruption of batch processing or series analysis implemented
New in SASfit 0.94.4 (Sep 22, 2014)
- a new interrupt button can stop now the intensity evaluation of fitting procedure after each q-value. Before the whole scattering curve needed to be calculated
- progress bar has been added to the GUI
- bug fix in plotting error bars of multiple data sets
- implementation of another method for thinning out oversampled data sets. The new methods is performing an averaging of data points depending on a user-defined maximum allowed q-smearing and a user-defined maximum distance in intensity in units of the error bar of the data points, i.e. an averaging is only performed, if the intensities look similar with n-times the intensity error bars
- bug fix in GUI if one wants to forget old data and load a new data sets
New in SASfit 0.94.3 (Jul 3, 2014)
- bug fix in the plugin for parallel epiped
- spelling errors in the menue interface
- in case of slow convergence the OZ solver can be interupted now
New in SASfit 0.94.2 (Jul 3, 2014)
- new binding for zoom option, which works better for a mouse with one button (plot zoom by ctrl+left-mouse btn)
- removed key binding for scattering contributions
- Added several iteration schemes for finding the fixpoint of the OZ equation
- Added a tab for the total correlation function h(r)
- Added also some root finding algorithms for solving OZ equation
- resolution parameter from file was not scaled during the change of units for Q
- bug fix in calculation of xi for sq for wormlike structures (PS1 model)
- wrong label for contrast in Teubner-Strey model
- bug fix in SPHERE+R^-a_Nagg form factor in assignement of core volume
- data export format set to scientific notation in the form x.yyyE?zz only
New in SASfit 0.94.1 (Jul 3, 2014)
- added missing parameter label for Hamaker constant in DLVO potential
- Penetrable Sphere Model was not properly assigned
- added all available plugins into the distribution binaries
New in SASfit 0.94.0 (Jul 3, 2014)
- A new interface for solving the Ornstein Zernike equation for different closure relations and potentials (OZ-solver) has been added. The solutions of the OZ-solver can be used as a structure factor as a spline function without the possibility to fit a parameter of the potential at the moment.
- manual has been extended for the ferrofluid plugin scattering functions
- orientation of the 2D simulation was rotated by 90deg.
- correction of the manual for Porod's approximation of cylinders.
- minor bug fix for Porod's approximation of long cylinders.
New in SASfit 0.93.5 (Jun 14, 2013)
- implementation of the form factor and correlation function for spin misalignment
- bug fix for the scattering contribution of the individual chains in the form factors WORM*, ROD*, and DISC*
- bug fix in the form factor MagneticShellCrossTerm
- added some subfolders for form factor plugins
- bug fix in the calculation of the scattering length density SLD(E) of x-rays
New in SASfit 0.93.3 (May 5, 2011)
- bug fix in the model "Stacked Discs". The structure factor describing the stacking order contained a bug.
- extended plugin for stroboscopic measurements, especially for TISANE
- plotting: ignore negative y values on log() and sqrt() scales
- included Pcs_homogeneousCyl form factor
- bug fix of ferrofluid plugin
- added radial averaged form factor in ferrofluid plugin
- extended the spline plugin to be used also as form factors.
- In case somebody wants to fit a spine function to e.g. a TEM size distribution, this function need to be available as a form factor and not only as a size distribution.
- added configuration file 'config.ini' as replacement for deprecated sasfit_init_public.tcl
- added switch for disabling 'about' popup at start time via config file
- added checkbox (ascii options) for ignoring zero(0) intensity at the beginning of data
- removed , as data column separator
- added substitution of , => . for data columns (german decimal format to english format)
- added interface function for covariance matrix output
- covar matrix visualisation with parameter highlighting
- added a chapter about particle number densities, volume fraction and absolute intensities in the manual.
- LogNorm_fp size distribution is now plugin function. The new plugin is not backwards compatible.
- The manual explains a bit the difficulties in describing the size distribution in terms of a volume fraction.
- added scrollbars for fit parameter window
New in SASfit 0.93.2 (May 5, 2011)
- bug fix of ferrofluid plugin
- added radial averaged form factor
- included radial averaged form factors also for SAW model
- Extended the spline plugin to be used also as form factors. In case somebody wants to fit a spline function to a size distribution, this function needs to be available as a form factor and not only as a size distribution.
- forwarding intermediate linear Guinier approximation results to the plot
- window (green curve)
- display of linear Guinier approximation results in ISP text output window
- residuum window updated with linear Guinier approximation residuum
- by default disabled, see checkbox in ISP window
- fixed SLDCalculator in source package (missing data files)
- added KNOWN_BUGS.txt (not complete)
- optical (layout) GUI improvements:
- removed thick margin around text boxes for ISP/analyt results
- added resizeable file list in ISP window
- added resizeable 'merge files' list when loading data files
- added menu->tools->toggle console to show the console, it is hidden by default now
- added 'OPTIM' parameter to src/CMakeLists.txt for optimized binary generation on
- the underlying hardware, use: 'cmake -DOPTIM=TRUE'
- added configuration file 'config.ini' as (working) replacement for deprecated
- sasfit_init_public.tcl
- added switch for disabling 'about' popup at start time via config file
- added switch to set the default data directory
- added checkbox (ascii options) for ignoring zero(0) intensity at the beginning of data
New in SASfit 0.93.1 (May 5, 2011)
- obsolete print menu entries removed
- fix of textual output bug (constant value 0)
New in SASfit 0.93.0 (May 5, 2011)
- copy&paste-able text output, as well as csv export (semicolon separated) for
- integral structural parameters (ISP) data
- parameters of contributions
- moments of size distribution
- improved/rewritten file selection GUI for ISP series fitting
- new and improved plugins, i.e. form factors:
- Kratky Sphere
- JuelichCoreShell (rewritten)
- Langevin
- Pcs_homogeneousCyl
- data is always plotted first, below the calculated lines
- error bars are drawn behind data points
- fixed wrong plotting of very large error bars
- for log-plotting on the y-axis, negative data is ignored
- (not plotted, was abs() before)
- fix to prevent the user from loading a SASfit project file as data
- fix in Form-Factor 'Background' (improved numerical stability)
- bug fix for saving parameter files on windows
- fix for saving *.par filenames with spaces
- bug fix in gui when selecting form factor "TwoAttachedSpheres"
- bug fix for "Singular Matrix" error (may still occur because of other reasons)
- documentation update
New in SASfit 0.92.3 (May 5, 2011)
- implemented three different versions for worm like chains as described
- in Macromolecules 1996, 29, 7602-7612. They have been implemented as
- structure factors [anistropic obj|P'(Q):local cylindrical geometry], so that it can be combined with different cross-section form factors of local cylindrical objects [anisotropic obj.|Pcs(Q) for cylindrical obj.].
- new form factor plugin for a sphere with 3 shells
- new structure factor for a regular cluster up to maximal 5 particle
- (tetrahedron like)
- correction of menue entry order for magnetic shell and
- superparamagnetic shell
- new plugin for ferrofluid particles with a scheme similar to
- the one from J.S. Pedersen for Gaussian Chains attached to a spherical particle
- bug fix in mMemberedTwistedRing
- two more default plot: Guinier (rods) and Guinier (sheets)
- bug fix in loglogistic peak
- implementation of asymptotic limits for fractals, which require a
- numerical integration. The integration often fails for large q-values
- for which an asymptotic solution is available or has been constructed.
- reprogrammed "SquareWell1" structure factor for a squared well potential
- replaced sasfit_qromb function by sasfit_integrate function in the
- form factor for the torus. The sasfit_qromb routine did not work for some
- unknown reason. This needs to be checked.
- new structure factor for a thin square well potential
- bug fix in BeaucageExpPowLaw2
- Bug fix for setting plot option "Holtzer" in multiple data set tab
- public initialization file for setting the default working directory by the user to any path
New in SASfit 0.92.2 (May 5, 2011)
- data reduction without data loss, after loading a project file
- the data reduction can be reversed
- info message about a guessed error bar is displayed only once
- when the ascii options are changed (not for every file)
- added tooltip for complete filenames in merge window
- color for selected fit region stays at dark grey after loading an old project file
- removed unused help buttons in file open dialogs
- fixed error loop when adding new data to previously loaded project file
- fix for a homedir being e.g. 'U:\' at startup on Windows
- minor correction in the routine to guess the error bar (normalization) when only two column are supplied
- fix of rare error "form factor param out of range: -1"
New in SASfit 0.92.1 (May 5, 2011)
- fix for GUI problem with two plugin form factors (contribution updates)
- 'If there are two plugin model functions with a different number of parameters, you can't switch/cycle trough the contributions anymore (Next, Previous).'
- fix for saving a parameter file (file creation was disabled by accident in previous version)
New in SASfit 0.92.0 (May 5, 2011)
- data reduction when loading a data file
- only a subset of data points can be loaded
- based on the overall point count or distance between points
- default directory for file selection is the current users home directory now
- documentation update
- fixed doxygen documentation and latex issues
- Holtzer and Debye-Bueche plot style added
- fixed bessel function evaluation for large values for resolution calculation
- fix for data file selection when error pops up and retry after input format correction
- fixed names of resolution parameter labels
- fixed error when loading default data file with sasfit installed in
- directory with spaces (again)
- fixed bug with loading a 'new ..' data set when there were already some loaded
- data structure maintenance issue
- unified window titles
New in SASfit 0.91.1 (May 5, 2011)
- fixed behaviour of 'add' button for multiple data file selection
- fixed multiple data file selection for filenames with spaces
- fixed behaviour of 'new' button in merge dialog for single fitting
New in SASfit 0.91.0 (May 5, 2011)
- Since the previous version of SASfit (0.90.1, January 2009) there were a lot of changes to primarily improve the quality and portability of the code. Here is only a short summary of the larger changes done (as of July 1st, 2009):
- added detailed documentation on setup and installation of SASfit, as
- well as plugin development (how to add own model functions)
- fixed some bugs in plugin framework
- added automatic determination of available plugins at build time
- enabled static building for plugins
- increasing maximum number of model parameter in GUI
- verified build compatibility for MacOS
- Extended and improved Scattering Length Density (SLD) Calculator.
- Now the scattering length density for x-ray energies between 1keV and 24.9 keV can be calculated.
- a few new form factor have been included
- generalized Gaussian coil
- generalized Gaussian coil 1
- generalized Gaussian coil 2
- ellCylShell1
- ellCylShell2