FitSuite  2.0.0
Release History (Changes)

Release History (Changes)

2021-06-9 FitSuite Version 2.0.0

  • Major changes

2009-12- FitSuite Version 1.0.5

  • Parameter filter was added, to select the parameters according various point of views, to make the usage of parameter editor easier, more transparent.
  • Now, inserting a new parameter its unit may be given too.
  • Mössbauer models have a new integer parameter (switch) VelocityFromDataSet to handle the cases when the velocities are available in the experimental data set too. If it is set to ‘yes’, the velocities are not calculated from the drive parameters, but the values from the data set are used. But the geometric corrections are calculated from drive parameters even in this case, therefore please do not forget to set them appropriately if you would like to take into account such corrections!

The new parameter VelocityFromDataSet will not appear in the models created by previous versions of FitSuite, in those you will not see it. Internally it will be set to its default value, i.e. to ‘No’. This is still a deficiency of the program, sorry.

  • If there were excluded points, the statistics were calculated incorrectly. This problem is eliminated now.
  • In case of compact file format, now you may specify the first column to read in too.
  • Mössbauer reemission was corrected, baseline is taken into account appropriately now.
  • New labels used to show the progress of calculations are added to the statusbar.
  • Mössbauer models have a new parameter Qg_Qe which is the ratio of the quadrupole moments in ground and excited state. For Fe^57 this is 0, therefore it was neglected in previous versions, although inside program was used. This was a first step to handle other Mössbauer isotopes as well.
  • Experimental data set and model may be separated now (choose ‘Disconnect Model and Data’ in proper menu).
  • All the parameters may be fixed choosing the Fix All item from menu Fit/Simulate.
  • Importing data sets we may perform some unit conversions, similarly as it was possible already for spec files.
  • Some of the X-ray related models now have an analysator too, taken into account by a Poincaré vector.
  • A lot of corrections were made.

2009-07-18 FitSuite Version 1.0.4

  • Simulation, etc. results are written in files in a different way now, see the menus Results | Export and Settings | Export Settings. The results are not written automatically into files (if you do not set the proper option in Settings | Export Settings)!!!
  • spec files may be read in, and experimental data may be extracted.
  • Models may be grouped to fit, simulate, plot, etc. only the models contained by the group.
  • Parameter distributions may be added (experimental).
  • Error calculation with covariance matrix contained a bug. Corrected.
  • Sounds notifying the end of simulations, now can be chosen by the user or switched off. This feature works only under windows.
  • A lot of new settings option is available. See the Setttings menu.
  • Menus were restructured.
  • Data sets not belonging to a model may be plotted.
  • Subspectra can be defined, calculated (experimental).
  • 3-rd party package qwt 5.1.0 replaced by newer version qwt 5.2.0.
  • Some errors were corrected, documentation extended.

2008-06-05 FitSuite release candidate 2. of Version 1.0.3

  • The windows version of the previous release candidate was not working at all (program died trying to load the project files). This problem was solved.
  • documentation was a bit extended, still not complete.

2008-05-29 FitSuite release candidate 1. of Version 1.0.3

  • Model groups were added, to be able to simulate, fit only specific models.
  • Statistics different from the classsical $ \chi^2 $ statistic were added.
  • The error type and the distribution of the experimental data can be given.
  • Bootstrap method for determination of parameter uncertainties.
  • Decorrelation, insertion of new simulation/fit parameter is possible.
  • Matrix/parameter generation is automatic.
  • Plotting was changed.
  • Fitting of ‘surfaces’ is possible. Plot routines were changed appropriately also.
  • Error warning messages can be sent to the GUI from the algorithms used to simulate.
  • Double clicking on the simulation/fit parameter name in the transformation matrix editor, the corresponding parameter in the parameter editor is shown.
  • 3-rd party package qwt 5.0.2 replaced by newer version qwt 5.1.0.
  • Experimental data points may also be excluded according to their values now.
  • In case of self diffusion the diffusion profiles are plotted.
  • Change, conversion of units is possible.
  • Help window, it is still quite primitive.
  • Simulation, fit, plot, of single model is possible.
  • Units of effective thicknesses were corrected.

2007-10-25 FitSuite Version 1.0.1

  • During fitting sometimes the initial plots were not the initial ones and much more plots were drawn, than it was necessary. This was because of a thread synchronization problem. These problems with plotting were solved, the codes corresponding for communication between the ‘plotting part’ and the program core was rewritten.
  • The widget used to set real numbers was changed.
  • The labels in the dialog used to split transformationm matrices were corrected (exchanged).
  • The unit of the scattering length density was corrected.

2007-10-05 FitSuite Version 1.0.0

  • The program was renamed from EfFi 2 to FitSuite.
  • Some problems in neutron reflectometry were solved.
  • Units were added, except of the effective thicknesses. Conversion is still not possible. This is still an experimental feature.
  • The number format in parameter and transformation matrix editors may be changed in Edit | Editor Settings.
  • Validators were added, to hinder using whitespaces and other illegal characters in model and physical object names.
  • Some problems with the thread on which the fitting routines and simulations are running, were solved. Now the simulation also runs on the thread.
  • The progress during fit and simulations can be followed now.

2007-07-12 EfFi Version 2.0.6

  • Clicking on the free parameter name in the ‘results table’ scrolls to the corresponding position in the parameter editor.
  • After fitting relative covariance matrix and confidence limits belonging to free parameters are shown. This is still a bit experimental, sometimes they are not quite correct, due to errors in finite differencing.
  • Now, parameter bounds may be taken into account during fitting and parameters may be rescaled.
  • The fitting method dialog was changed.
  • New menu point in Plot menu: Close All. Plot All is working now.
  • Objects can be removed from models now, but regeneration of the transformation matrices is still needed thereafter.
  • Second version of the model type for self diffusion problem was added.
  • qwt 5.0.1 was replaced by version 5.0.2.
  • Instead of Qt 4.2.3 now at least Qt 4.3 is required.

2007-04-24 EfFi Version 2.0.4

  • bugs with the last lines in the parameter editors using the help option whats this are fixed.
  • Self diffusion problem added. This is still in a very initial state, with lot of model assumptions.

2007-03-30 EfFi Version 2.0.3

  • Help is now working under Windows also (if it is available).
  • There were some bugs in offspecular neutron reflectometry code. These were corrected.
  • New grid types were added to the neutron theories, old projects containing neutron models cannot be read in.
  • Under Windows now the executable file is in the main directory, and there is no problem with release.
  • Mössbauer reemission (CEMS for thin layers) was added.
  • Some problems with Mössbauer problems were fixed:
    • There was a crash when the source had a site of type defaultSite.
    • Contributions of doublet and sextet sites were calculated incorrectly.
  • qwt package used for plotting was updated.
  • Instead of GNU Make we use now CMake.
  • Installation is simpler.

2007-02-21 EfFi Version 2.0.2

  • Under windows the colors could not be changed as the corresponding dialog remained in background. This is corrected.
  • The role of unit_Beff and unit_scatt_length_dens was changed a bit, their default values are now 1 and 1e-6 respectively.
  • In model types containing Mössbauer sites the theta and phi components of the magnetic fields Hint and Hext were interchanged with each other, this is corrected now. In your former projects you have to commute the corresponding values.
  • The property name vmsplit was changed to v_max_source. This is used in Mössbauer (conventional and stroboscopy) theories.
  • Interpolation in off-specular polarized reflectometry.
  • The model type describing the time integral SMR was changed, in order to be faster, new properties were added. As a consequence former projects containing this type of model cannot be read in, you will get segmentation faults. You have to regenerate them... We have to find out something to solve this type of problem.

2007-02-11 EfFi Version 2.0.1

  • MakeSettings was changed, building from sources is a bit different, see the User Manual.
  • The following names were changed:
    • Setup -> Scheme:
      • MossbauerTransmisSetup -> MossbauerTransmisScheme
      • SynchPromptRockingSetup -> SynchPromptRockingScheme
      • MosStrobReflSetup -> MosStrobReflScheme
      • MosStrobTransmissSetup -> MosStrobTransmissScheme
      • SynchTransmissionSetup -> SynchTransmissionScheme
      • SynchReflOffspecSetup -> SynchReflOffspecScheme
      • SynchTimeIntRockingSetup -> SynchTimeIntRockingScheme
      • SynchTimeDifferentialSetup -> SynchTimeDifferentialScheme
    • gridtype names changed to more appropriate shorter names (tooltip help was added):
      • MosbTransSimPointsGenerator -> drive
      • PromptSimPointsGenerator -> grazing
      • MosbStrobReflSimPointsGenerator -> drive
      • MosbStrobTransSimPointsGenerator -> drive
      • TransSimPointsGenerator -> TBunch
      • TimeIntSimPointsGenerator -> grazing
      • TDiffSimPointsGenerator -> TBunch
  • Off-specular neutron reflectometry changed: several grid types, still not complete.
  • Some default parameter values were changed, in order to avoid some possible errors.
  • Plotting: gplot.plt, plotsData
  • Fitting methods using derivatives
  • Surface plotting improved: color list, polygon section
  • Data files: with arbitrary extensions, besides *.dat, *.txt
  • Documentation was extended.

2006-12- EfFi Version 2.0

  • Effi 2 was put on ftp site.