New Match! version 3.7.0

November 16, 2018

A new Match! version 3.7.0 has just become available. The new version provides new functionality for quantitative analysis, trimming of diffraction patterns and much more. In addition, a variety of bugs has been fixed.

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

• New functions for quantitative analysis
  • Internal standard quantification of phases (menu "Quantify/Internal standard..."), e.g. for calculating the amount of amorphous compounds in the sample
  • Degree-of-crystallinity analysis (menu "Quantify/Degree of crystallinity"), e.g. for quantifying the amorphous content
• The accuracy of the semi-quantitative analysis has been improved, by augmenting the existing calculation (that is based on the peak intensities only) by a least-squares refinement of the overall diffraction profile.
• New "Quantify" menu
• New command "Quantify/Recalculate phase amounts"
• You can now trim the range of the diffraction pattern, simply by moving the mouse cursor to the left or right border (mouse cursor changes), pressing the left mouse button, and keeping it pressed while moving the mouse to the upper or lower limit at which you would like cut off the diffraction data.
• In the pattern graphics, the background is now also displayed (and can be modified) for additional patterns, not just for the anchor pattern as up to now.
• New command "Scale absolute intensities" (available both in the main menu "Pattern" as well as in the additional patterns' menus) multiplies all absolute raw/profile or peak intensity values (counts) by a user-defined factor.
• New command "Peaks/Reset FWHM to default value" attributes the current default FWHM value (which can be set on the "Raw data" tab of the "Options" dialog) to all marked peaks.
• New command "Tools/Release "Don't show again" windows" makes all dialogs hidden by marking "Don't show again" be displayed again.
• Command "Calculate profile integrals" has been shifted from menu "Pattern" to menu "Quantify".
• Command "Calculate peak residuals" has been shifted from menu "Peaks" to menu "Quantify".
• Rigaku raw data files containing more than a single diffraction pattern can now be read.
• Using the new option "Use as default for all patterns in current import" in the "Experimental details" dialog you can define experimental details for all files if you import more than a diffraction pattern at a time.
• "fxye" diffraction data files (that contain 2theta-values multiplied by 100.0) can now be imported.
• The "Resolution..." command in the "Pattern" menu has been replaced by "Increase resolution...".
• The manual has been reworked, with two new chapters "Raw data processing" and "Quantitative analysis" having been added.
• New revision of the COD reference database
• Several bugs have been fixed:
  • An issue causing peak detection problems (especially after background subtraction) has been resolved.
  • Due to a bug, the candidate list was cleared after running the "internal 2theta standard" command if no peak data were present yet.
  • A bug affecting the automatic diffraction data file format detection (that sometimes mismatched profile and peak data in text files) has been fixed.
  • The calculated I/Ic-value was too large if entry data were imported from a cif-files that contained a (short) wavelength information for cell determination.
  • The button "Run new calculation" on the "Rietveld" tab is now only available if no calculation is already running.
  • Several minor bugs have been fixed as well.

Match! version 3 users should download and install the new version 3.7.0.124 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.