New Match! version 2.4.0
January 23, 2015
The new version 2.4.0 of Match!, our software for phase
identification from powder diffraction data, has just been released. The new version provides
the following improvements:
- The stacking distance between diffraction patterns can now be reduced step by step up to a
complete overlap with the anchor pattern at the bottom. In order to do so, press the Ctrl- (Cmd-)
key along with '-' (or '+' vice versa), run the corresponding command(s) from the View/Pattern menu,
or move the mouse cursor to the right of the diffraction pattern and turn the mouse wheel.
- For each additional pattern, a menu button now provides access to commands like "Close pattern", "Swap patterns" etc.
- It is now possible to add or subtract two patterns, by using the corresponding new commands
from the new pattern menu (see above).
- You can quickly define an "additional experimental pattern" to be the new anchor pattern
(the one that is used for search-match etc)., by using the corresponding command from the
new pattern menu (see above).
- You can now import more than a single diffraction pattern at a time, simply by marking several
files in the "Import diffraction data"-dialog.
- The search-match option "Restrict to exp. range" has been replaced by two separate options,
one for the low angle and one for the right (high angle) part of the diffraction pattern.
- You can now define a minimum value for the intensities of peaks to be correlated. By increasing this
value you can exclude minor phases which may be reasonable when beginning a new phase identification.
- The individual profile integrals of matching phases (% and counts) are now displayed in the
"Pattern/Calculate profile integrals" dialog.
- There is a new search-match parameter "Minimum relative intensity for peak correlation".
- When resetting Match! to its factory settings the current reference databases can now be retained.
- The function to load an entry that is currently marked in the candidate list as a new
experimental pattern has been extended so that now not only the peak data are copied but
also a profile curve is calculated from them, using the current default FWHM value.
- The pattern recording temperature is now also printed in the legend of the pattern graphics.
- The "Internal standard" functionality has been improved/corrected.
- In the "Experimental details" dialog that is displayed when importing diffraction data from some
file formats, you can now also select "theta" (in addition to "2theta" and "d-value"),
making it possible to e.g. import Seifert diffraction data.
- New support for DRON-3 diffraction data file format (still experimental)
In addition, a large variety of bugs has been fixed:
- If you were using the PDF-4/Minerals reference database and tried to run a Rietveld refinement
you got an error message "Entry does not contain crystal structure data", despite the fact that
this database contains full crystal structure data (incl. atomic coordinates).
- When using a PDF reference database, the checkbox "Inorganics only" on the "Composition"-tab
of the "Restraints" page did not work properly: Marking the checkbox resulted in the answer
set containing 0 entries.
- In some cases FullProf did not use the standard setting for a space group, resulting in
Rietveld refinement problems because diffraction peaks were e.g. missing. This has been
fixed by now by using the Hall-symbol instead of the Hermann-Mauguin symbol in the
FullProf control file. Please note that you also have to install the latest version of
FullProf in order to fully resolve this problem!
- An issue affecting the Rietveld refinement of crystal structures containing mixed site has been resolved.
- Intensity scaling factors could not be modified independently using the mouse in the diffraction
pattern: If the intensities (i.e. scaling factor) of one phase were increased, the intensities
(scaling factors) of the remaining phases were decreased automatically and vice versa.
- Quite often the program crashed if the difference plot was opened too slowly when using the
mouse in the diffraction pattern (on the x-axis) for this task.
- If only a small experimental 2theta-range was present or large parts of the 2theta-range
were marked as "excluded", the search-match calculation did not work properly.
- In the "Add peak"-dialog, the button "Add peak" was never enabled.
- A bug affecting the saving of the Report as a Textfile (*.txt) has been fixed.
- The checkbox "Inorganics only" on the "Composition" page of the "Restraints" tab did not
work when using ICDD PDF reference databases.
- Some minor bugs have been fixed.
Match! version 2 users should
download and install the new version 2.4.0 from here.
In order to fully resolve the PDF-4/Minerals reference database problem mentioned above, it is necessary
to run a new reference database indexation in the "Reference Database Library".
Match! Demo Version and Information
If you would like to learn more about Match!, please
visit the Match! web page.
where you can also download a full-featured (time-limited) demonstration version free-of-charge.