New Match! version 3.2.0

April 22, 2016

Today we have released a new version 3.2.0 of Match!, our software for phase identification from powder diffraction data. The new version provides a rather large variety of improvements and bug fixes:

• The reference database is now switched automatically when a document is loaded that was saved using a different reference database than the one that is currently used.
• New batch script command "new_document" (-> File/New)
• New batch script command "use_ref_db" (select reference database from within script), e.g. use_ref_db("PDF-2 Release 2015")
• A data sheet for the refined structure and parameters has become available, in addition to the one for the original reference database entry data.
• New data sheet option "Display peak positions as 2theta or d-values" on new "Data sheet" options tab
• New command "Pattern/Increase resolution" increases resolution by interpolating new data points between the original ones.
• New option "mode" for peak range selection on "Peaks" tab of "Restraints" and "Additional entries" tabs enables the user to exclude all entries that have peaks within certain 2theta ranges.
• New command "File/Export/Peak data (Rietveld)" exports the peak data resulting from Rietveld refinement from the currently marked Match list entry.
• Auto save option on the "General" tabsheet of the "Options" dialog (default: active, save every 10 minutes).
• The import of cif-files into the User Database Manager is much faster by now.
• Peak searching sensitivity has been slightly improved (some users may want to adjust their default peak searching sensitivity)
• A new page "Batch Scripting" has been added to the online help in which all commands available for scripting are listed and explained along with their parameters.
• Several bugs have been fixed:
  • Due to a bug, Match! did not distinguish between U_iso and B_iso when importing isotropic atomic displacement parameters from ICDD PDF-4+ databases.
  • A severe bug in the figure-of-merit calculation devaluated an entry if at least one of its peaks contributed only to a minor part of an experimental peak intensity.
  • A bug causing displaying problems of filenames containing more than a single '.' character has been fixed.
  • Due to a bug, changing the restraints pre-selection did not always lead to the expected result (some input boxes kept their previous values).
  • Peaks from reference database entries could not be correlated to experimental peaks even though they lay just a tiny bit outside the range of experimental peaks (if the corresponding option "restrict to experimental range" was active).
  • The quantitative results from Rietveld refinement were not used (copied into Match!) in certain circumstances (e.g. if no experimental peaks were detected/present).
  • Several minor bugs have been fixed as well.

Match! version 3 users should download and install the new version 3.2.0 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.