New Match! version 3.3

October 4, 2016

A new version 3.3 of Match!, our software for phase identification from powder diffraction data, has just become available. The new version provides a large amount of new functions and improvements as well as a few bug fixes.

The main new features are demonstrated in a new tutorial video.

Here is a list of all new features and improvements:

• Crystallite size estimation using Scherrer's formula (menu "Tools/Crystallite size estimation...")
• New command for batch scripting: "crystallite_size_estimation(name_of_standard,Scherrer_constant)"
• New option "Estimate crystallite size" on "Batch"-tab of the "Options"-dialog
• New option "Draw peak positions incl. relative intensities" on the "Graphics"-tab of the "Options"-dialog toggles between display of peak positions and the display of a "small stick pattern", i.e. peaks with positions and relative intensities as well as entry label.
• Stick pattern can now be displayed in data sheets (new option on "Data sheet" tab of "Options" dialog).
• The peak searching algorithm has been improved. You may want to re-adjust (normally reduce) your default peak searching sensitivity (Tools/Raw data/Peak searching).
• You can now adjust the FWHM of one or more marked peaks directly in the pattern graphics, by moving the mouse cursor on top of one of them (cursor will change) and turning the mouse wheel up or down.
• The command "View in Diamond" now also displays the refined crystal structure (if present).
• A new option "Monochromator" has been added to the Rietveld Parameter Turn-On dialog, so that the FullProf parameter CTHM can now be adjusted.
• For Rietveld refinement, you can now activate the Brindley correction for the microabsorption on the phase sub-tabs (tab "Quant.") on the "Expert" tab of the "Parameter Turn-On" dialog. For the calculation of the Brindley parameters you can enter a value for the particle size separately for every phase.
• It is now possible to export the data sheet (original or refined data) of the currently marked entry to a pdf-file.
• When another experimental pattern is added using the "Load as experimental" command, the corresponding sample ID will now also contain the entrynumber as well as the formula sum, in addition to the name of the compound that has already been used up to now.
• A new file 3-column format (d/2theta, intensity, FWHM) for the export of peak data has become available.
• The display quality (resolution) on Apple HiDPI (Retina) devices has been significantly improved.
• The command "Load as experimental" has been added to the context menu of the Match list.
• Stripping of alpha2 contribution is no longer performed automatically by default during automatic raw data processing.
• A clarification has been added to the dialogs for the zero-point and specimen-displacement correction.
• Several bugs have been fixed:
  • A bug causing error messages like "Unable to determine one or more scaling factors!" when trying to run a Rietveld refinement calculation has been fixed.
  • The command "Export peak data (Rietveld)" was not available due to a bug.
  • Some minor bugs have been fixed as well.

Match! version 3 users should download and install the new version 3.3 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.