New Match! version 3.10

March 31, 2020

There are especially two topics we would like to address with the new Match! version 3.10.0.167: First of all, you can now use the new "Direct Derivation" (DD) method for quantitative analysis that has recently been proposed by H. Toraya.
In addition, we have improved the handling of subsets, i.e. of user-defined entry lists that can e.g. be used as restraints, in order to reduce the search space for qualitative analysis.
Finally, the new version provides fixes for all currently known bugs.

In detail, the following new functions and bug fixes have been implemented:

• "Direct Derivation"-(DD)-method by H. Toraya for quantitative phase analysis (available in the "Quantify" menu)
• The handling of user-defined database subsets has been improved: For example, the export of answer sets from the candidate or match list has been modified, so that if the answer set file already exists, Match! will optionally append the new entry numbers to the file (instead of simply overwriting the previous file). In addition, only marked entry numbers will be written if present. As a result, it is much easier by now to collect lists of entry numbers, which can be used as bibliography restraints later on.
• The background can now be imported from all supported raw diffraction data file formats, not just from the FullProf bac-formats as up to now.
• New menu command "Pattern / Background / Import from file" (identical to "File / Import / Background")
• New menu command "Pattern / Background / Export to file" (identical to "File / Export / Background")
• You can now export the difference plot profile data, by using the new menu command "File / Export / Difference plot (profile)".
• The import code for MDI raw data text files has been improved for enhanced compatibility.
• Menu command "Pattern / Edit Sample Date/Time": We have switched over to a free-format input of text or date/time information, because the information included in many diffraction data files did not use the same format as required by our date input tool.
• New keyboard shortcut <Ctrl+F4> (<Cmd+F4> on the Mac) for raw data smoothing.
• The default background flexibility was far too sensitive (value of 10); it has been reduced to a default (factory settings) value of 2.
• Keyboard shortcut for "Mark unidentified peaks" has been changed from <Ctrl+Shift+K> to <Ctrl+Shift+U>.
• New keyboard shortcut for "peak searching and fitting": <Ctrl+Shift+K>
• The modification of the FWHM of individual marked peaks in the pattern graphics using the mouse has been improved.
• When loading a document file (*.mtd), the match list entries will be preserved, even if a different reference database has been used to create it.
• New COD reference database release 2020-03-03.
• Several bugs have been fixed
  • Due to a bug it was not possible to perform a quantitative analysis based on profile data and Rietveld refinement alone, i.e. without the presence of experimental peak data.
  • A bug affecting the Rietveld refinement of atomic site occupation factors (causing the resulting parameter values to be read incorrectly from the FullProf output files) has been fixed.
  • When opening ("drawing up") the difference plot using the mouse for the first time, the system could behave irregularly.
  • Due to a bug, the searching for (or the addition of) specific entries did not work properly if a reference database with only one (or just a few) entries was used.
  • In the User Database Manager, a bug caused all peak data to vanish when pressing on "Save changes" in certain circumstances.
  • The wavelength was not read correctly from user database files (*.mtu) in the User Database Manager.
  • The quantiative analyis could not be performed if only experimental peak (but no profile) data were present.
  • If Match! was displayed on an additional monitor when it was used last time, and this monitor is no longer available, the program window was not visible.
  • A bug that caused Match! to "hang" (no longer update any "views"; e.g. candidate list after search-match or pattern graphics after pattern import) after the "Reference Database Library" dialog was displayed has been resolved.
  • If you were using the Windows 64-bit version of Match! on a High DPI machine, the mouse wheel could not be used throughout the program.
  • When importing JEOL raw data files, the background was not read or determined correctly.
  • Some minor bugs have also been fixed.

Match! version 3 users should download and install the new version 3.10.0.167 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.