MossWinn 4.0 series release notes
 
 
  • 2024/12/14
    • MossWinn is now able to load numerical data from text files with only a single line, where the listed data are separated either by space (example) or comma (example) characters.
 
 
 
  • 2024/09/29
    • The following bug has been fixed. When a special data format was defined (in the configuration file ..\MOSSWINN 4.0\USERS\PUBLIC\STATUS\SPECFRMT.CFG) by declaring a String of termination for the data input, and the definition also instructed MossWinn to load the X axis (velocity) data from a column of the data file (via the instruction of Read X data from column number), then the latter instruction was ineffective if the data columns ended with anything other than an empty line, as the program would not load the X data from the file in such cases.
 
 
 
  • 2023/09/03
    • The following bug has been fixed. When in the FIT menu an attempt was made to delete a parameter (via Remove → Parameter ) that was referenced by another parameter in the current fit model, and the Remove all references to the selected parameter, and then delete it. option was selected in the displayed dialog, then either a run time error occurred or the parameter list became corrupted.
 
 
 
  • 2023/07/29
    • A memory leak associated with the Edit Spectrum Parameters Dialog has been fixed.
    • A form size mismatch of the Alternative Color Scheme form (accessible via SET → Set color scheme... → Create color scheme...) has been fixed.
 
 
 
  • 2023/07/07
    • The information displayed by MossWinn about the minimum and maximum values of the velocity axis as X-data minimum and X-data maximum (on the information page invoked by a left mouse click on a red-framed spectrum window) was erroneous for calibration spectra that were freshly calibrated with respect to a standard (e.g. α-Fe) different from the source material either as unfolded spectra or as folded spectra with sinusoid velocity axis. In the latter cases the displayed X-data minimum and X-data maximum values were nearly equal as if the velocity axis was calibrated with respect to the applied source material. When in this state the calibration was transferred to another spectrum, the X-data minimum and X-data maximum values were erroneously displayed for the latter spectrum as well.

      The displayed information became correct after reloading the spectrum or restarting MossWinn. The bug did not influence the velocity axis calibration itself, which latter was correct even though the displayed X-data minimum and X-data maximum values were erroneous.
 
 
 
  • 2023/04/05
    • When an attempt is made to load a file encoded according to one of the above schemes, MossWinn will create an ASCII copy of the file, and will work with the copy instead.
    • MossWinn can now be instructed to extract the sample temperature from special format data files, by adding the following lines to any of the format definitions listed in the file ..\MOSSWINN 4.0\USERS\PUBLIC\STATUS\SPECFRMT.CFG :
    • Search for temperature in line: # - where # should be set to the number of the line where the temperature is present in numeric form. (The first line of the file having the number of 1.)
    • Search for temperature at character position: # - where # should be a character position number that coincides with one of the characters of the number representing the temperature of the sample. (The first character in the line having the position number of 1.)
    • User-defined custom source matrices can now be selected as the default source matrix via the menu SET → Configuration settings... → Default source matrix for 57Co [ ]
    • The use of the following new functions is now supported by MossWinn in user-written dynamic-link libraries (DLLs):
    • DLL_SET_PARAMETER_FIXED - to set initial fixed status of DLL subspectrum parameters.
    • DLL_SET_PARAMETER_HARD_CONSTRAINED - to set initial hard-sphere constrained status of DLL subspectrum parameters.
    • DLL_ALLOW_PARAMETER_VALUE_TRANSFER - to set whether DLL subspectrum parameters can inherit the value of corresponding parameters in the predecessor-subspectrum.
    • DLL_REQUEST_PARAMETER - to request additional parameters (such as, e.g., TEMPERATURE [K]) to be added to the parameter list of baseline for their possible access by multiple DLL subspectra.
    • DLL_REQUEST_PARAMETER_ATTRIBUTES - to set initial attributes of requested additional parameters.
      For details regarding the usage of these functions see section 27.18.1 in the latest manual and check out the corresponding tutorial video. A working library and its source file demonstrating the use of the above functions can also be downloaded.
 
 
 
  • 2019/02/03
      The following XLS spreadsheet file output options have been added to the feature set of MossWinn services.
    • In the FIT menu the list of options available via the Copy menu box has been complemented with the following options.
    • All spectra (as xls) - press on this menu item to make a copy of all the simultaneously fitted spectra, all the valid insight pages, the fit results in two different tabular forms as well as the fit reports associated with the current state of the fit in the form of a single XLS spreadsheet file, in which the different spectra/insight pages/tables and the fit reports appear on separate worksheet pages (example).
    • Current spectrum (as xls) - press on this menu item to make a copy of the currently selected fitted spectrum, the corresponding fit results in two different tabular forms as well as the associated fit report in the form of a single XLS spreadsheet file, in which the spectrum data, the fit result tables and the fit report appear on separate worksheet pages (example).
    • All insight pages (as xls) - press on this menu item to make a copy of the numerical data of all the valid insight pages in the form of a single XLS spreadsheet file, in which the data of the different insight pages appear on separate worksheets (example).
    • Insight page (as xls)... - press on this menu item to make a copy of the numerical data of the selected insight page in the form of an XLS spreadsheet file (example).
    • In the main menu the list of options available via the PRN menu box has been complemented with the following options.
    • Copy RED as xls - press on this menu item to make a copy of the spectrum data in the red-framed window in the form of an XLS spreadsheet file (example).
    • Copy ALL spectra as xls - press on this menu item to make a copy of all the spectrum data on the current desk in the form of a single XLS spreadsheet file, in which the different spectra appear on separate worksheet pages (example).
    • In the main menu the list of options available via the headline popup menu of spectrum windows has been complemented with the following option.
    • Copy as xls - press on this menu item to make a copy of the spectrum data in the selected data window in the form of an XLS spreadsheet file (example).
      Access to the above functions requires either the DBM version of MossWinn or subscription to the MossWinn services. MossWinn services are freely available to MossWinn licensees until 15th of February, 2019.
 
 
 
  • 2018/08/07
    • In the Load menu the default search file mask was *.*, for which case file names without extension are not displayed in the list of EXISTING FILES. Therefore, the default search file mask has been changed to *, which makes the list of EXISTING FILES include the name of all files found in the current directory.
 
 
 
  • 2018/07/14
    • MossWinn 4.0i is now able to take advantage of modern high resolution screens by offering various internal resolution choices exceeding that (640×350) of earlier versions (example). The various menus will automatically adapt to the internal screen resolution selected.
    • The SET menu has been complemented with the menu option of Set GUI resolution... that can be used to alter and check on the internal MossWinn GUI (graphical user interface) screen resolution.
    • The menu list of the Set autosave options... submenu of the SET menu has been complemented with the option of Autosave fit status [ ... ], which can be used to set the frequency by which the status of the FIT menu is automatically saved during fitting.
    • In the Load and Save menus (in high resolution GUI mode) one can now order files either according to their name or their age, in an ascending or descending manner (example).
    • The Load and Save menus (in high resolution GUI mode) now display the number of files found with specific extensions in the current directory (example). Pressing on any of the shown extensions with the left mouse button filters the displayed file names in accordance with the selected file extension.
    • The PLT menu has been complemented with the Point size... menu option that can be used to set Auto, Large or Small point size for the red-framed window.
    • The ART menu has been complemented with the Shift subspectra for graphics... menu option that invokes the Subspectrum Shifter Dialog, which can be used to shift subspectra and the residual vertically with respect to the measured spectrum data in order to emphasize the shape and position of the individual subspectra (example).
    • The PRN menu has been complemented with the Copy RED to clipboard (as text) and the Copy ALL to clipboard (as text) menu options that can be used to copy spectra to the clipboard as text, with the velocity values, the measured data, the fit envelope and the subspectra included as comma delimited columns. These options may be used to export numerical data from MossWinn for use in external data processing & graphics software.
    • In the PRN menu, as well as in other menus with options for printing, one can now select the target printer to which the print job should be sent to (example).
    • The Load demo spectra submenu option of the Help menu can now be used to load demo spectra on a separate project desk.
    • In the FIT menu the Set menu list has been complemented with the Set GUI resolution... and Configuration settings... menu options.
    • In the FIT menu it is now possible to order simultaneously fitted spectra according to their name, according to the value of a special parameter, or according to the value of a fit parameter. Press on the tab showing the number of spectra on the top of the parameters' page in order to access the corresponding popup menu options. The order set in this way also influences the order in which spectra appear on printed and copied images.
    • In the FIT menu the spectrum graphics screen area has been complemented with the All Spectra tab and the associated page, which displays all the simultaneously fitted spectra (example). Press with the right mouse button on any of the displayed spectra to access the associated popup menu options.
    • In the FIT menu the spectrum graphics screen area has been complemented with the Insights tab and the associated page, which displays all the insight graphs (example). Press with the right mouse button on any of the displayed insight graphs to access the associated popup menu options.
    • In the FIT menu Insight graphs can now display (±1σ) error bars based on the calculated standard deviation (σ) of the associated fit parameters (example).
    • In the FIT menu the Model page has been complemented with the GUI menu box whose menu list can be used to alter the internal GUI (graphical user interface) resolution of MossWinn.
    • In the FIT menu the Model page has been complemented with the Contents tab whose menu list can be used to set the contents of the extra screen area that becomes available on the right side of the Model page in high GUI resolution modes (example).
    • In the FIT menu, by using the checkbox elements (Coupled W. and Texture) of the Subspectrum matrix elements content, available via the Contents tab's menu list on the Model page, it is now easier to couple/decouple peak amplitudes and line widths of linear (doublet and sextet) powder geometry models.
    • One can now make MossWinn to save the status of the fits performed in the FIT menu periodically with a specific frequency, which latter can be set either via the Set menu inside the FIT menu, or via the SET menu of the main menu. Should the FIT menu become abandoned unexpectedly due to, e.g., a power cut, the automatically saved fit status can be recovered when next time MossWinn is started.
    • In the FIT menu, the theory of Multinomial distribution (1 shell, AB, M, Powder) is now available under the option Distributions with parameterized profile (Powder)... of the interaction popup. It is intended, for example, to model 57Fe Mossbauer spectra of iron-based ternary alloys with a random distribution of metal atoms over the available lattice sites.
    • In the FIT menu, the functions Smooth monotonic (examples) and Smooth with slope (examples) have been added to the functions available under the Constrain menu box. These can be useful for example when during the simultaneous fit of several spectra the fitted value of a parameter shows unphysical oscillations due to the statistical noise and parameter correlations, and its value should therefore be constrained, but the possible dependence of its value on that of another parameter cannot be sufficiently well approximated with a linear dependence. Access to these functions requires either the DBM version of MossWinn or subscription to the MossWinn services.
 
 
 
  • 2016/10/22
    • In the FIT menu the subspectrum headline menu has been extended with the following two menu options.
    • Constrain parameters to be equal to those of - select a subspectrum appearing as a subitem of this menu option in order to constrain parameter values of the subspectrum (whose headline was pressed) to be equal to those of corresponding parameters in the subspectrum selected as subitem. The constraints are also set up for associated shared subspectra (if any).
    • Fit all but this subspectrum - press on this menu item to initiate a local fit of all free parameters that are outside of the scope of the subspectrum whose headline was pressed.
    • The concept of MossWinnn Services has been established. Access to the MossWinn Services is free until 30th of October, 2016.
    • A new version of MossWinn, named MossWinn DBM, has been established, that provides access to all the features of the existing MossWinnn Services free of charge.
    • The Edit Spectrum Parameters Dialog now handles Paramagnetic Hyperfine Structure (PHS) models. However, due to the considerable computing power needed to calculate such a model curve in short enough time, MossWinn may decide (depending on the computing speed of the computer you are using) not to calculate and display corresponding model curves while browsing the MIDB records under the MIDB matches tab. Application of the corresponding model may nevertheless be possible after a double click on the selected MIDB record item. Also note that if temperature and external magnetic field attributes are already defined for the red-framed spectrum, then PHS models are calculated and visualized by considering these values rather than the original values included in the selected database record. This may result in PHS model curves that are very different from those included in the record itself. To see the latter, original curve, check it out in the MIDB Browser accessible via the DTB menu box.
    • The stoichiometry search function of the MossWinn Internet Database has been extended to handle symbolic compound names. Write any symbolic name between double quotes in the stoichiometry edit box of either the MIDB Browser or the Edit Spectrum Parameters Dialog in order to search for corresponding MIDB records referring to the symbolic name either as a symbolic compound name, or as a keyword. Try, for example, "HTSC" or "HPCA" to obtain a corresponding result.
    • In the FIT menu the transmission integral calculation function has been extended with the option to apply a squared Lorentzian source line shape for the fit of 57Fe Mossbauer spectra, which can be used to analyze spectra recorded with a 57Fe synchrotron Mossbauer source as described in Phys. Rev. A 84 (2011) 053851.
    • In the FIT menu the Global Search method was susceptible to a bug that could prevent it from working efficiently after a fixed parameter was manually changed, or the evaluation function of the fit was changed from chisquare to another function. As a result, the Global Search method could be rendered to be unable to improve upon the current solution.
 
 
 
  • 2016/04/17
    • The SET menu has been extended with the menu option of Set color scheme... that can be used to alter the default colors used by MossWinn on its main screen. This can help to improve perceived color differences of the main MossWinn screen.
 
 
 
  • 2016/02/28
    • In the FIT menu the subspectrum headline menu has been extended with the including information on nuclear states submenu option of the menu Copy peak positions and areas to clipboard. The new submenu option appears only for subspectra calculated according to one of the static Hamiltonian models. When it is selected, information about the nuclear sublevels as well as about the nuclear transitions leading to the subspectrum peaks will be output — along with the positions and relative areas of the peaks — as comma delimited text. This example explains corresponding information in a special case.
    • The subspectrum headline menu has been extended with the menu option Fit only this subspectrum. Turn to this option in order to fit only those fit parameters that belong either to the corresponding subspectrum or (in case of simultaneous fit of spectra) to associated shared subspectra (if any).
 
 
 
  • 2015/08/30
    • In the FIT menu the subspectrum headline menu has been extended with the menu option Copy peak positions and areas to clipboard that will copy to the Windows clipboard a list of comma-delimited numerical data regarding the positions and areas of the individual peaks contributing to the selected subspectrum. For each of the peaks the following information is included in a single row as comma-delimited simple text:
    • Position of the center of the peak,
    • Absolute area associated with the peak (skipped for transmission integral fits),
    • Area fraction of the peak with respect to the area of the whole subspectrum,
    • Relative area of the peak with respect to the peak with the lowest non-zero area.
      • In the case of transmission integral fits, after the peak position only the thin-absorber limit area fraction and relative area are included in the copied list. The menu option is not available for subspectra describing arbitrary-profile parameter distributions and for subspectra calculated according to relaxation theories or according to auxiliary libraries.
    • In the FIT menu a Run Time Error could occur when the number of subspectra exceeded 16.
 
 
 
  • 2015/08/09
    • Several parameterized-profile distribution theories have been added to the list of fit models built in for 57Fe, 119Sn and 125Te. The following newly added theories are now available under the option Distributions with parameterized profile (Powder)... of the interaction popup. (Note that VBF and xVBF models require at least the Select version of MossWinn.) See section 27.5 of the latest manual for details.
    • Gaussian QS and IS distribution (VBF, PM, Powder) - doublet spectrum model of a paramagnetic powder with a Gaussian distribution in the quadrupole splitting, and with an associated Gaussian distribution in the isomer shift values, the latter being coupled to the quadrupole splitting values according to a linear relationship. It is based on Voigt-based fitting (VBF) as described in NIM B 58 (1991) 85.
    • Gaussian MF, QS and IS distribution (VBF, M, Powder) - sextet spectrum model of a magnetic powder with a Gaussian distribution in the hyperfine magnetic field, and with an associated Gaussian distribution in the isomer shift and quadrupole splitting values, the latter ones being coupled to the hyperfine magnetic field values according to linear relationships. It is based on Voigt-based fitting (VBF) as described in NIM B 58 (1991) 85.
    • Gaussian QS and IS distribution (xVBF, PM, Powder) - doublet spectrum model of a paramagnetic powder with a Gaussian distribution in the quadrupole splitting and isomer shift values, with an arbitrary degree of correlation between the two distributions. It is based on extended Voigt-based fitting (xVBF) as described in NIM B 129 (1997) 266.
    • Gaussian MF, QS and IS distribution (xVBF, M, Powder) - sextet spectrum model of a magnetic powder with a Gaussian distribution in the isomer shift, hyperfine magnetic field and quadrupole splitting values, with an adjustable degree of pairwise correlations between the different distributions. It is based on extended Voigt-based fitting (xVBF) as described in NIM B 129 (1997) 266.
    • Binomial distribution (1 shell, M, Powder) - sextet-based spectrum model of a binomial atomic distribution in a magnetic powder sample in which the isomer shift, hyperfine magnetic field and quadrupole splitting parameters are perturbed in an additive manner by substituent atoms distributed randomly in the first shell of atomic neighbors around the Mossbauer nuclides. Each substituent atom in the shell is assumed to alter the isomer shift, hyperfine magnetic field and quadrupole splitting parameters with the same amount. The model is also suitable to fit doublet- or singlet-based binomial atomic distribution models.
    • Binomial distribution (2 shells, M, Powder) - sextet-based spectrum model of a binomial atomic distribution in a magnetic powder sample in which the isomer shift, hyperfine magnetic field and quadrupole splitting parameters are perturbed in an additive manner by substituent atoms distributed randomly in the first and second shells of atomic neighbors around the Mossbauer nuclides. Substituent atoms in the same shell are assumed to alter the isomer shift, hyperfine magnetic field and quadrupole splitting parameters with the same amount, but this amount can be different for atoms in different shells. The model is also suitable to fit doublet- or singlet-based binomial atomic distribution models.
    • Data files associated with distribution curves derived in the FIT menu are now automatically marked with the DISTRIBUTION keyword. When entering the FIT menu in order to fit/decompose such distribution curves, the initial fit model set up by MossWinn is now a pseudo-Voigt peak with zeroed Lorentzian FWHM width (i.e. a Gaussian peak), accompanied by a constant baseline whose value is fixed to zero.
    • In the FIT menu the subspectrum headline menu has been extended with the menu option Add one more subspectrum of this type that will duplicate the corresponding subspectrum by adding its clone to the fit model.
    • In the FIT menu subspectra can now be renamed to a fixed name that is preserved even if the underlying theory is changed.
    • The MossWinn Internet Database (MIDB) can accept now high-resolution downsampled spectra with up to 1024 as the target data number.
    • MossWinn's help system has been extended with video tutorials showing real-time performance of MossWinn while solving various problems with the program. The present collection of tutorials is available via the web site http://www.mosswinn.com/english/videotutorials.htm.
    • The following submenu option was added to the Help menu:
    • Video tutorials on the web... - Select this option to open the web page showing video tutorials concerning MossWinn.
 
 
 
  • 2015/03/01
    • The theory of Electron Hopping Relaxation (Magnetic, Powder) has been added to the list of fit models built in for 57Fe. It is implemented for iron in magnetic powder samples where electron hopping occurs either between iron ions of different oxidation states (e.g. Fe2+ ↔ Fe3+) or between iron ions and the rest of the system, and as a result of this hopping the Hamiltonian sensed by iron nuclei relaxes between two different forms characterized by different isomer shift, hyperfine magnetic field and quadrupole splitting values. The model can account for situations encountered, e.g., in J. Phys. Chem. Solids 41 (1980) 1273. See section 27.4 of the manual for further details.
    • The calculation of the standard deviation of fit parameters via the inversion of the curvature matrix (as done via the Cal StD menu box in the FIT menu) was further developed in order to improve its reliability in cases when the accuracy of numerical calculations is compromised, which could for example happen for fit models with hyperfine parameter distributions. The corresponding calculations are now a two-step process whose first step is devoted to a more elaborate estimation of the optimal parameter value differences for the calculation of numerical derivatives. Due to the implemented changes, the reported fit parameter StD values in general may slightly differ from corresponding StD values calculated by earlier versions of the program.
    • A new method has been implemented for the approximation of the chisquare curvature matrix, which is based on the approximation of 1st derivatives of the fit envelope with respect to the fit parameters, as opposed to the approximation of the 2nd derivatives of the chisquare used in earlier versions. The newly implemented method shows superior reliability especially for spectrum fit models involving hyperfine parameter distributions, and can often provide meaningful results in cases when the method based on the approximation of 2nd derivatives fails. Beside the newly implemented method, the old method (based on the 2nd derivatives of chisquare) remains available: one can set in the Configuration settings... submenu of the SET menu which of the two methods should be invoked when a left mouse click is applied to the Cal StD menu box in the FIT menu. Independently of this setting, a press with the right mouse button on the Cal StD menu box provides the possibility to carry out the StD calculations via either of the methods by turning to the following new menu options:
    • Approximate StD via 1st derivatives
    • Approximate StD via 2nd derivatives
    • MossWinn passed an erroneous string as the source parameter for the procedure

      DLL_SET_INTERACTION_NAME(var s:ShortString;source:ShortString);export;

      in external fit model DLL libraries. Depending on the interpretation of the source parameter by the user-written DLL, this could disable the New Subspectrum (DLL) and New Shared Subspectrum (DLL) functions accessible via the ADD menu box in the FIT menu.
    • When in the FIT menu a parameter value was constrained by using the More parameters... menu option accessible via submenu items of the Constrain menu list, then the set up of the constraint may have failed when on the appearing form the mouse wheel was used to scroll the list of parameters.
    • In the FIT menu, the approximation of the standard deviation of fit parameters via Monte-Carlo iterations did not work when the fitness function minimized during the fit was the Simple squared deviation or the Absolute deviation.
 
 
 
  • 2014/07/27
    • In the FIT menu the calculation of arbitrary profile hyperfine field/parameter distributions can now be combined with the fitting of transmission integral. See the latest HELP, the manual and corresponding publications for details.
    • The upper limit for the number of distribution data points contributing to a single distribution curve has been extended to 180 (from the earlier 90).
    • There is a new EDT menu with extended functionalities. It allows one
    • to set the value of various spectrum parameters for the red-framed window - the value of parameters such as the stoichiometry and temperature of the sample, further experimental parameters and keywords associated with the corresponding measurement, and the headline of the associated spectrum file can be set here among others (example).
    • to monitor the last accepted fit results associated with the red-framed window - the complete fit report (if available) can be displayed, printed or copied to clipboard (example).
    • to monitor the fitness of models in related MIDB database records with respect to the spectrum in the red-framed window - move the mouse pointer over any of the displayed (related) MIDB database records (under the MIDB matches tab) to evaluate the fitness of the corresponding model with respect to the spectrum in the red-framed window (example 1, example 2).
    • to set the fit model of a related MIDB database record as the fit model accepted for the spectrum in the red-framed window - double-click on any of the displayed records in order to accept the corresponding model for the spectrum in the red-framed window. As a result, when next time the FIT menu is entered for the given spectrum window, the fit will start with the model accepted here.
    • In the SET menu the Configuration setting series menu item has been replaced by the Configuration settings... menu item that can be used to check on and to set — one by one — various options initially offered for setting when MossWinn was installed.
    • The following new default special parameters are available for setting corresponding attributes of Mossbauer spectra.
    • MOSSBAUER NUCLIDE - to set the Mossbauer nuclide associated with the measurement.
    • MEASUREMENT GEOMETRY - to set the geometry associated with the Mossbauer measurement.
    • EMF DIRECTION - to indicate the direction (parallel or perpendicular) of the external magnetic field if applied during the measurement.
    • KEYWORDS - to attribute — comma delimited — keywords to the Mossbauer measurement.
    • The MossWinn Internet Database (MIDB) has been extended to work properly also with unfolded Mossbauer spectra.
    • MIDB database records returned by the Find and apply best match database function are now ordered with respect to the fitness of the included fit models in relation to the spectrum under analysis.
    • In the FIT menu the LinFit function now also works for fit models that include hyperfine parameter distributions.
    • In the headline as well as in the X and Y axis titles of spectra one can now use HTML-style text formatting tags such as <i></i> for italic, <b></b> for bold, <u></u> for underline, <sub></sub> for subscript and <sup></sup> for superscript text style.
    • HTML formatted special parameters (such as the stoichiometry, headline, etc.) appear now in a formatted way on printed/copied spectrum images when selected for this purpose.
 
 
 
  • 2013/09/08
    • When in the FIT menu Transmission Integral mode was selected, then for each of the subspectra the allowed value range of the last position type parameter was reset.
    • When in the FIT menu a subspectrum model was saved to the subspectrum collection (via the Save subspectrum menu option), and the name of the subspectrum was changed in the process such that its order among the existing subspectrum names changed, then MossWinn saved another subspectrum instead of the selected one.
    • MossWinn could throw an Invalid floating point operation error message when in the FIT menu subspectra with pseudo-Voigt line shapes were fitted.
    • When in the FIT menu an amplitude type parameter that was subject to a percentage constraint was cross-referenced by another parameter, a circular reference error occurred that was not recognized by MossWinn. As a consequence, the convergence of the corresponding fit could be poor.
 
 
 
  • 2013/07/21
    • For 3/2—1/2 Hamiltonian models where the Bhf hyperfine magnetic field vector can have an arbitrary orientation with respect to the eigensystem of the EFG, MossWinn now outputs the S0, S1 and S2 invariants on corresponding fit reports, which can help to treat the ambiguity problem encountered in the case of 3/2—1/2 Mossbauer transitions when fitting the spectrum of powdered samples, as described in PRB 78 (2008) 014411 and Journal of Physics: Conference Series 217 (2010) 012010. See section 27.4 in the latest manual for further details.
    • The Help menu has been extended by the following submenu option:
    • Download and open latest MossWinn manual from the web - Select this option to download and open the latest version of the MossWinn manual as published on the web.
    • In the previous release, records published in the MossWinn Internet Database did not appear in the database browser immediately after publication, but only after the corresponding record was also included in the MIDB Compound Summary. They now appear already immediately after publication.
    • In the previous release, in the FIT menu, during fitting via the local tuning of fit parameters, intermediate calculation statuses may have become displayed when a user action—such as for example the scrolling of parameters—was initiated. The final fit result was not influenced by the bug.
    • For Hamiltonian models where the ez basis vector of the reference coordinate system is fixed to the vector of the hyperfine magnetic field, the meaning of the α angle (belonging to the Alpha (EFG) fit parameter) was wrongly described in the manual of MossWinn. The latest manual now includes a proper description of the angle.
 
 
 
  • 2013/06/23
    • MossWinn is now able to apply parallel computing for local tuning of the fit parameters (initiated, e.g., by a press on the FIT menu box) when simultaneous fitting of two or more spectra is performed. This can dramatically speed up time consuming simultaneous fitting processes on multicore processor based systems. Note that this feature is activated only when parallel computation on multiple cores is enabled via the SET menu box of the main menu.
    • Fundamental query and browse access to the MossWinn Internet Database is now a free service to MossWinn licensees. Turn to the new DTB menu box in the main menu in order to access the database. Subscription to the database is now required only for the publication and editing of database records, and for accessing the advanced database features available via the DB menu box in the FIT menu. The database subscription price has been reduced accordingly.
    • The DTA menu box was replaced with the new DTB menu box that provides access to internet database functions directly from the main menu. The DTB menu box includes the following submenu options:
    • Browse the MossWinn Internet Database (MIDB) - Turn to this option to query and browse the MossWinn Internet Database. Access to this function is free to MossWinn licensees, i.e. it does not require subscription to the MIDB.
    • Edit MIDB record - Turn to this option to edit one of the own MIDB records (i.e. records that were published in the database by using the hardware key that is currently attached to the computer).
    • Withdraw MIDB record - Turn to this option to withdraw one of the own MIDB records from the database.
    • DTA menu - Turn to this option to access the functionality of the former DTA menu that is included here to preserve compatibility with earlier versions.
    • By default, the MossWinn Internet Database is now synchronized according to the status reflected by the MIDB Compound Summary. In order to achieve an up-to-the-moment synchronization, subscribers can turn to the Synchronize local data with the internet database menu option of the DB menu box in the FIT menu.
    • The popup menu associated with the stoichiometry box on the MIDB Browser form has been extended by the following menu items:
    • Copy to clipboard as source code - Select this option in order to copy the stoichiometry string into the clipboard as the corresponding - plain text - source code on which the displayed formatted stoichiometry is based.
    • Look up abbreviations - Select this option in order to access information concerning molecular formula abbreviations being part of the shown stoichiometry string. The abbreviations in question are listed as submenu options that can be selected to open a web page with corresponding information in the default browser. (The menu option is not available when the stoichiometry does not include abbreviation code.)
    • The stoichiometry box of the Database record input form has been complemented with popup menu functionality offering possibilities for
    • the setting of the stoichiometry string to one of the stoichiometry strings of existing own MIDB records, and
    • the insertion of an existing molecular formula abbreviation code at the current cursor position in the stoichiometry string.
    • Further syntactic elements has been defined for the syntax of stoichiometry expressions as used in MossWinn, e.g., to describe the composition of measured materials in records of the MossWinn Internet Database. Examples concerning the syntax of stoichiometry expressions are now available via the website http://www.mosswinn.hu/stsyntax.htm. In the present release the syntax of stoichiometry expressions was extended by the following possibilities.
    • Molecular quantities can now also be expressed by a multiplicator written before the molecular unit, such as in 6H2O. The scope of multiplication includes the largest possible molecular unit directly following the multiplicator.
    • The multiplication sign * can now be used to denote, e.g., hydrous compounds such as in 2CaSO4*4H2O that would be displayed as 2CaSO4·4H2O.
    • Quantities can now also be given as fractions as in the cases Fe2O3*1/2H2O (displayed as Fe2O3·1/2H2O) and La1/3Sr2/3FeO3 (displayed as La1/3Sr2/3FeO3).
    • Text between double quotes can now be formatted by using HTML-style formatting elements such as <i></i> for italic, <b></b> for bold, <u></u> for underline, <sub></sub> for subscript and <sup></sup> for superscript text style.
    • HTML code can now also be used between double quotes to display greek letters (e.g. &alpha; &beta; for α β) in stoichiometry formulas such as "&gamma;-"Fe2O3 (displayed as γ-Fe2O3).
    • Chemical abbreviations of molecular units can now be used between curly brackets as in Fe[C(Si{Me}3)3]2. Abbreviations recognized by MossWinn are written with bold characters when the stoichiometry is displayed: Fe[C(SiMe3)3]2. Visit http://www.mosswinn.hu/abbreviations.htm for the current list of abbreviations that can be used. Turn to the corresponding submenu option of the Help menu in order to request a new abbreviation code to be used in stoichiometry expressions.
    • The menu list of the CalStD menu box in the FIT menu has been extended by the following submenu option:
    • Clear StD values - Select this option in order to clear the calculated standard deviation values of the fit parameters.
    • The info line popup box in the FIT menu has been extended by submenu options allowing the control of various aspects of spectrum graphics.
    • The Compile HTML FitLog summary of folder submenu option was added to the HDO menu. Turn to this option to display the HTML FitLog Summary Dialog that allows the creation of FitLog summary files on the basis of fitted Mossbauer spectra situated in a certain folder/drive (or its subfolders) and satisfying certain criteria set by the user.
    • The Show/Hide StD bars submenu option was added to the PLT menu. StD bars extend ±σ around the data points where σ is the square root of the data count value (example).
    • The Printer Setup Dialog has been extended by offering the option of using StD Bars for drawing measured data points (example), and by enabling the control of the line width of the fitting curve(s) drawn on the printed / copied images.
    • The Help menu has been extended by the following submenu options:
    • License code of the attached key: XXXX - This line shows the license code associated with the attached hardware key.
    • Request abbreviation code for use in stoichiometry expressions... - Select this option to request a new molecular formula abbreviation code to be used in stoichiometry expressions, e.g. when creating a new database record. Details of the abbreviation can be set on the appearing form that can also compose and open a corresponding E-mail in the default E-mail client. (The E-mail is to be sent to the author of MossWinn.)
    • Look up abbreviation codes for use in stoichiometry expressions... - Select this option to look up abbreviation codes that have already been defined by opening the corresponding web page in the default browser.
    • In the FIT menu, in the case of Hamiltonian models the default parameter boundaries set for polar angles were erroneous. They are now set to [0,180] deg. In addition, the range of azimuthal angle values were also extended to [-180,180] deg. Both constraints are designated now to be HARD by default.
    • In the FIT menu, when the CalStD box was pressed with the left mouse button, then erroneous operation or a runtime error could occur under the following circumstances:
    • A multicore processor was used and parallel computation on multiple cores was enabled via the SET menu, and
    • the actual fit model included one or more subspectra with distribution, and
    • a subspectrum with distribution included two or more amplitude type parameters, and
    • one or more of these amplitude type parameters - being not the first of such parameters - were fixed.
 
 
 
  • 2012/11/18
    • The theory of Electron Hopping Relaxation (Paramagnetic, Powder) has been added to the list of fit models built in for 57Fe. It is implemented for iron in paramagnetic powder where electron hopping occurs either between iron ions of different oxidation states (e.g. Fe2+ ↔ Fe3+) or between iron ions and the rest of the system. It can model situations encountered, e.g., in Phys. Chem. Minerals 10 (1984) 250 and PRB 31 (1985) 34. See section 27.4 of the manual for further details.
    • The functionality of the box — displaying the number of free parameters in the FIT menu — has been extended by the following menu options (accessible via pressing on the box with the left mouse button).
    • Fix all parameters for the current spectrum
    • Unfix all parameters for the current spectrum
    • Reverse fix status of parameters for the current spectrum
    • Fix all parameters for all of the spectra
    • Unfix all parameters for all of the spectra
    • Reverse fix status of parameters for all of the spectra
    • The detailed description of the corresponding functions is given here.
    • In the FIT menu the following new menu options have been added to the subspectrum headlines' popup menu list.
    • Fix all subspectrum parameters - Turn to this option to fix all the paramaters of the subspectrum, such that they do not change their value during the fit. When the function is applied to all the simultaneously fitted spectra, then shared parameters become sharefixed.
    • Unfix all subspectrum parameters - Turn to this option to unfix all parameters of the subspectrum, such that they can become adjusted during the fit. In the case of simultaneous fitting of several spectra, when the function is applied only to the current spectrum, then the sharefixed status of parameters remains unaltered.
    • When in the FIT menu a fit parameter (p1) subject to a HARD constraint was crossreferenced by another parameter (p2), then during fits initiated by pressing with the left mouse button on the FIT menu box it may have happened that p2 took on a value corresponding to an invalid value of p1. The error, that could persist during fitting, was corrected when the fit terminated, which may have been resulted in a sudden change of the fitting curve reflecting the occurrence of erroneous operation during the fit.
    • The fix applied (in the previous release) to solve the Run Time Error 216 — occurred under Windows 7 when the program terminated — did not eliminate the bug and could lead to a similar error under Windows XP. The problem is solved now in a different way by detecting the type of the operating system and applying the appropriate fix in each case.
 
 
 
  • 2012/08/20
    • A new HTML based fit report format has been developed (example) that allows the user to log fit results (including, among others, the values of fit parameters, standard deviations and applied nuclear constants as well as the image of the fitted spectrum) in so called (HTML) FitLog files. The FitLog files may contain multiple logs (i.e. multiple fit results related to the same spectrum file) that can be reloaded via the menu options invoked by pressing with the right mouse button on the Accept menu box in the FIT menu. FitLog files may also include links to publications that report about measurements of materials with a related stoichiometry, which information relies on corresponding records of the MossWinn Internet Database (that needs to be accessible to the user in order to have this functionality available). FitLog files become also included (along with the corresponding spectrum data files) in Transfer Project Files handled via the menu options of the MPD menu.
    • The Automatic HTML FitLog creation on Accept submenu option has been added to the Set performance options... menu. When it is set to enabled, MossWinn automatically saves a FitLog file whenever a fit result is accepted in the FIT menu by pressing with the left mouse button on the Accept menu box. MossWinn takes care of duplicates: it will not add the same FitLog multiple times to the same FitLog file.
    • The Inclusion of related database links into FitLogs submenu option has been added to the Set performance options... menu. When it is set to enabled, MossWinn automatically includes in the FitLogs links to publications that report about materials with a stoichiometry that is similar to the stoichiometry associated with the fitted spectrum. This function works on the basis of existing MIDB database records and requires therefore the MossWinn Internet Database to be accessible to the user.
    • The Resolution of spectrum images in HTML FitLogs submenu option has been added to the Set performance options... menu. It allows the setting of the resolution / size of the spectrum images included in the FitLog files.
    • The Open HTML FitLog menu option has been added to the Info line popup menu in the FIT menu. It can be used to open the FitLog file, belonging to the current spectrum, in the default web browser application.
    • The Save HTML FitLog menu option has been added to the Save menu box in the FIT menu. It can be used to save a new FitLog, reflecting the current state of the fit, to the FitLog file belonging to the current spectrum.
    • The FitLog file menu option has been added to the Remove menu box in the FIT menu. It can be used to delete the FitLog file belonging to the current spectrum.
    • The Save and open as HTML FitLog menu option has been added to the right mouse button menu list of the Print menu box in the FIT menu. It can be used to save a FitLog to the FitLog file (either of the current spectrum only or of all the spectra fitted simultaneously) and then open the saved FitLog(s) in a single step.
    • In the FIT menu right mouse button menu list functionality has been added to the Accept menu box with the following submenu items.
    • Revert to previously accepted fit parameter values - Turn to this option to reload the values of fit parameters from the fit previously accepted via a press on the Accept menu box. (The accepted fit model itself is not reloaded, i.e. the number and kind of subspectra contributing to the actually set fit model remain unaltered.)
    • Save HTML FitLog according to the present state - Turn to this option to save a new FitLog, reflecting the current state of the fit, to the FitLog file belonging to the current spectrum.
    • Reload previously logged fit model... - Select a submenu of this menu option in order to reload the corresponding previously logged fitmodel from the FitLog file belonging to the current spectrum. The currently set fit model will be overwritten.
    • Delete FitLog from log file... - Select a submenu of this menu option in order to delete the corresponding FitLog section from the FitLog file belonging to the current spectrum.
    • Delete all FitLogs but the last - Turn to this option to delete all but the latest FitLog section from the FitLog file belonging to the current spectrum.
    • The built-in popup menus and submenus of MossWinn are now scrollable and can thus provide access to more items than the inherent screen resolution allows. Scrolling of the menu items can be made faster by pressing the shift key on the keyboard.
    • Fixed a bug that prevented the selection of fitted spectra on insight pages of the FIT menu when the name of the corresponding file (including the path) was more than 80 characters long.
    • Fixed an issue of compatibility with Windows 7 systems that could result in erroneous MossWinn warning messages related to the loading of files. (The problem could also be eliminated either by the selection of a Windows XP compatibility mode or by setting administrator privilege level for the execution of MossWinn.)
    • Some Windows 7 systems appeared to have trouble to reclaim the memory resources abandoned by MossWinn's memory manager when the program has finished execution. As a result, the operating system may have thrown a Run Time Error 216 several seconds after MossWinn's termination. The memory resources in question are now freed before the program terminates, which modification appears to have solved the problem.
 
 
 
  • 2012/03/28
    • The menu option Restrict velocity axis... has been added to the ART menu. It can be used to restrict the velocity axis either only of the spectrum in the red-framed window or of all spectrum windows on the current desk to a velocity range [vmin...vmax] to be given on the appearing dialog. (The resulting spectra are placed in new windows while the originals remain unaltered.)
    • Fixed a bug that occurred when in the FIT menu a 3/2 ↔ 1/2 source nuclide was changed to another 3/2 ↔ 1/2 source nuclide, and one (or more) of the subspectrum models previously set with the old nuclide selected was not available for the newly selected nuclide: in such a situation the subspectra in question remained either undefined or wrongly set for the newly selected nuclide.
    • Fixed a bug that prevented the correct loading of DLL-based fit models from the model library.
    • Fixed a bug that could cause runtime error when the Cal StD menu option was invoked and the number of free (fitted) parameters was less than two.
    • Fixed a bug that prevented printing of images of spectra included in MIDB records.
 
 
 
  • 2012/02/05
    • The Compound Summary of the MossWinn Internet Database now includes links to the publications associated with MIDB records of subscribers of the MIDB database service.
    • Further procedures of MossWinn have been complemented with their parallel computing counterparts that can offer higher computing speeds on PC systems based on a multicore processor. In the present version the following menu options of MossWinn can benefit from multicore computing:
    • Global
    • Cal StD
    • Find and apply best match
    • Fit using METHOD B (partial support)
    • Import Project...
    • Save all files of the project into a single folder
    • Save all files of the project group into a single folder
    • The menu option Set performance options... has been added to the SET menu. Its submenu option Parallel computation on multiple cores [ Enabled/Disabled ] can be used to enable/disable access to the parallel computing algorithms of MossWinn.
    • It is now possible to complement MossWinn with up to 30 user-programmed subspectrum model function libraries (in contrast with the earlier 3 possible libraries with the names SUB_DLL1.DLL, SUB_DLL2.DLL and SUB_DLL3.DLL). The libraries should be present in the code library directory of MossWinn, and they should have a file name corresponding to the mask SUB*.DLL.
    • The menu option Enable/disable libraries has been added to the SET menu. It can be used to enable/disable the loading of user-programmed subspectrum model function libraries from the code library directory of MossWinn.
    • MossWinn now supports the estimation of the standard deviation of fit parameters for datasets with non-Poisson noise distribution, when the variance of individual counts cannot be taken to be equal to the value of the counts themselves. (This situation can be realized, e.g., by the normalization of a Mossbauer spectrum.) The corresponding calculation mode is in effect when in the FIT menu the Simple squared deviation or the Absolute deviation fitness functions are selected via the Chi menu box.
    • In the FIT menu a right-mouse-button click on the CalStD menu box now allows one to save the correlation matrix of the fit as GIF image.
    • In the FIT menu subspectra based on user-programmed subspectrum model function libraries can now be added to the current model via the submenu options New Subspectrum (DLL) and New Shared Subspectrum (DLL) of the Add menu.
    • When in the FIT menu a formerly saved fit model is selected, it is now applied to the current spectrum by preserving the relative amplitudes of the included subspectra. One can use the LinFit menu option to achieve an independent fit of the amplitude type parameters.
    • Three new menu options (Save all shown temporary files into a single folder, Save all files of the project into a single folder, Save all files of the project group into a single folder) have been added to the HDO menu.
    • The menu option Recreate distributions without fitting has been added to the SFT menu. Select this option to recreate and invoke distribution curves (if any) associated with fits accepted earlier for the spectra on the current project desk.
    • The F5 keyboard button can now be used to make the window of MossWinn remain visible in front of other windows even if the latter have received the focus. Once in this mode, press the F5 button again to return to normal mode.
    • Fixed a bug that could lead to memory leak.
 
 
 
  • 2011/07/30
    • Two new menu options have been added to the PRN menu, which allow one to save the image of the red window or that of all windows on the screen in the GIF image format.
    • The First Author field of MIDB records is now a required field independent of whether the publisher is the corresponding author or not.
    • Fixed the bug that in some situations could prevent the MIDB browser to return answers to database queries in the correct order.
 
 
 
  • 2011/05/01
    • A new Mossbauer spectroscopy database service – named MossWinn Internet Database (MIDB) – has been developed, and is now available for access via the internet by the help of the MossWinn program. The database allows subscribers to search and browse existing records, as well as to publish, edit or withdraw their own records in the database. The MIDB functions are accessible via the DB menu box in the FIT menu. See the online help, the MIDB Publisher's Guide, the MIDB Subscriber's Agreement and the MIDB manual for further information.
    • The Split distribution submenu option was added to the Constrain menu box of the FIT menu. The option can be used to split a previously set distribution at some intermediate distribution parameter value. As a result, the distribution will contribute to the fitting curve by two separate subspectra.
    • The All subspectra submenu option was added to the Remove menu box of the FIT menu. Turn to this option in order to remove all shared and unshared subspectra from the fit model associated with the current spectrum.
    • The Spectrum parameters and Isomer shift reference submenu options were added to the Set menu box of the FIT menu. By the help of the former one can alter spectrum parameters directly from the FIT menu, whereas the latter can be used to declare the isomer shift of the isomer shift reference material associated with the current source nuclide. (The latter information is utilized when the fitness of MIDB records is evaluated with respect to the current spectrum.)
    • When the FIT menu is entered with a formerly fitted spectrum, the constants underlying of linear models expressing magnetic splitting (if any were accepted earlier for the spectrum in question) are now updated automatically to reflect the current set of nuclear constants (gyromagnetic factors).
    • Parameters of linear models whose underlying constants (i.e. meaning) have been changed (on the details page) – in comparison with the corresponding default values – are now denoted by navigation menu shapes with a highlighted center (see example).
    • There was a problem with the interpretation of the Jump Up Rate / Jump Down Rate and Jump Rate parameters of the Blume-Tjon Two State Magnetic Relaxation (Powder) and Tjon-Blume Jahn-Teller Quadrupole Relaxation (Powder) theories, respectively: MossWinn works with and reports the logarithm of the angular frequency of the relaxation, which was not emphasized in the manual. The corresponding sections of the manual have been updated to reflect the meaning of the relaxation rate parameters properly.
    • Fixed the bug that could prevent the Global search method in the FIT menu to perform efficiently for some special but simple cases.
    • Fixed the bug that could make MossWinn to enter an infinite loop when the MPD → Rename Current Project menu option was selected.
    • Fixed the bug that prevented the MPD → Rename Project Group... menu option to work correctly in some situations.
 
 
 
  • 2010/12/19
    • Fixed the bug that prevented MossWinn to fit distributions to spectra with the first-channel count being fixed (set to zero).
 
 
 
  • 2010/10/20
    • Right mouse button functionality was added to the EDT menu: the corresponding right-mouse click popup menu allows one to set a certain spectrum parameter to the same value for all the data windows on the current project desk.
    • The option Delete gray-framed (temporary) windows was added to the right-mouse click popup menu of the DEL menu.
    • Fixed the bug that prevented the option ARR → Arrange by TEMPERATURE [K] from working correctly when applied to distribution windows newly prepared via the SFT menu.
    • Fixed the bug that prevented the option DEL → Delete invisible windows on the current desk from working correctly.
    • Fixed the bug that in some situations made the SBC menu respond as if the left mouse button was pressed though a right mouse button functionality was invoked.
 
 
 
  • 2010/06/02
    • Fixed the bug that caused the opening of multiple help pages when a help ellipse was pressed on.
 
 
 
  • 2010/06/01
    • Support was added for left-handed mouse operation mode (i.e. swapping of the left and right mouse button functions).
 
 
 
  • 2010/05/29
    • Support was added for Lite version licenses.
    • The Ctrl-key functionality on exit was eliminated because premature exit could lead to memory leaks and associated error messages.
 
 
 
  • 2010/05/20
    • This is the first release note concerning MossWinn 4.0Pre, the first member of the MossWinn 4.0 series. The main changes compared to version 3.0i xp are listed below.
    • The code of MossWinn 3.0i xp was ported from Borland Pascal 7.0 (DOS, 16 bit) to Delphi 2007 (Windows, 32 bit) to make it suitable to run on newer MS operating systems including MS Windows XP, Vista and 7 (32 bit and 64 bit versions).
    • Special effort was made to preserve the original user interface, while at the same time achieving considerably higher execution speeds via the general optimization of the code for Windows environment.
    • The built in nuclear constants were updated to their latest values.
    • A html-based context sensitive help was developed.
    • Support was added for the automatic and manual update of the help files and the main executable through the internet: if allowed, the program can automatically detect, download and install updates when they are released.
    • Support was added for windowed and full screen operation modes.
    • Support was added for mouse wheel (scrolling up or down) events.
    • Support was added for long file names.
    • Support was added for the extended ASCII (code page 437) character set.
    • Support was added for Windows copy/cut/paste clipboard functions in textual and numeric edit boxes.
    • Support was added for Windows copy clipboard functions concerning graphical images, tables (comma-delimited text) and fit reports (simple text).
    • Support was added for the export of spectrum images in JPEG format.
    • Support was added for Arial, Cambria and Times New Roman fonts on printed/copied graphical spectrum images.
    • The maximum number of loaded datasets/subspectra was increased to 1000.
    • In the FIT menu, the correlation matrix of fit parameters can now be copied to the clipboard as a table (comma delimited text) or as an image.
    • The MLS and FLT menus were further developed and now allow for the continuous adjustment of the noise filter's cutoff frequency and of the line width of the deconvolved Lorentzian via the corresponding slides.
    • The auto-copy of original data files is now a wired-in feature: MossWinn will not alter the original data.
    • Supplementary information (of arbitrary kind) in the original data files is now copied along with spectral data into derived data files even if the information is not used/recognized by MossWinn.
    • MossWinn can now be instructed to extract the velocity axis from data files with special columnar format.
    • MossWinn can now be instructed to interpret and load any data file according to a given special format, even if the data file does not match the criteria specified previously for the special format in question.
 
 
 
  • Upgrade earlier versions to MossWinn 4.0Pre.