New Match! version 3.2.2

July 28, 2016

We have just released a new version 3.2.2 of Match!, our software for phase identification from powder diffraction data. The new version provides some minor improvements as well as especially a lot of bug fixes:

• A new option "Determine automatically" has been added for the "Default FWHM" setting on the "Raw data" tab of the "Options" dialog. If this option is active (and raw/profile diffraction data are present), Match! will determine an average default FWHM value automatically while running the normal peak searching. Otherwise, the default FWHM value given by the user will be applied to all peaks that have been found/imported.
• Using the new option "Amounts (%)" for the legend in the diffraction pattern you can now toggle the displaying of the results of the semi-quantitative analysis for all Match list entries in the legend of the diffraction pattern graphics.
• The default value for Cp, the Rietveld microabsorption coefficient, has been changed from 1.0 to 0.0.
• The option "Update candidate list during search-match" has been moved from the "General" to the "Candidate list" tab of the "Options" dialog.
• The option "Include marked candidate list entries in profile calculation" has been moved from the "General" to the "Candidate list" tab of the "Options" dialog.
• Several bugs have been fixed:
  • Due to a bug, no atomic coordinates were available when using the PDF-4/Organics database. Re-indexation of the reference database is required to fix the problem!
  • Match! crashed when the user tried to import a diffraction data file containing the old Mac line endings (CR only) in the diffraction data file.
    Although Match! does no longer crash, these files are still not imported yet, so please make sure to convert the line endings either to LF or CR/LF in your text editor, then try again!
  • A bug causing the command "Export profile data (Rietveld)" sometimes being not available has been fixed.
  • An issue causing the background curve to "jump" when moving a background control point (sometimes causing "steps" in the background curve) has been resolved.
  • Due to a bug, several diffraction data files in Siemens UXD file format (*.uxd) could not be imported.
  • A bug leading to peak intensity scaling problems after Rietveld refinement calculations has been resolved.
  • In certain circumstances (e.g. with phases containing elements with large scattering power), a Rietveld refinement calculation could not be run because of an error message "Unable to determine one or more scaling factors!"
  • The initial values for the Rietveld scaling factors were far off reasonable values in some circumstances.
  • In some circumstances, the error message "Correlated peak not found" was displayed again and again when the peak searching sensitivity was reduced (menu command or F3).
  • Due to a memory leak, loading or importing of large user databases or large entry numbers in the User Database Manager could cause a crash of the program.
  • A bug caused the program to crash when running the "Delete all peaks" command if at least one entry was present in the Match list (i.e. selected as matching).
  • Several minor bugs have been fixed as well.

Match! version 3 users should download and install the new version 3.2.2 from here.

Match! Demo Version and Information

If you are new to Match! and would like to learn more about it, please visit the Match! web page. where you can also download a full-featured (time-limited) demonstration version free-of-charge.