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Match! Version 1 Tips & Tricks

The hints given below will help you to apply the Match! version 1 software more efficiently:

Repeated Usage/Storing of Restraints

If you are frequently using the same set of restraints (e.g. elements, density, inorganics only etc.), you might get tired of selecting these restraints in the corresponding dialog over and over again. Instead, it would be much easier if you could somehow store the entries that correspond to these restraints, in order to use them as a subset based on which you can run search-match operations later on.

In order to do so, please create a new document first (select "File/New"). Afterwards, open the "Restraints" dialog (e.g. by selecting "Search/Restraints"), and enter the restraints of your choice. When you have finished, press the "Retrieve" button at the bottom of the "Restraints" dialog. In the "Usage of Entries" dialog that is now displayed, please make sure that the option "Use as base for future search-match operations" is marked, then press "Accept". The entries that match your restraints are now transfered to the so-called "restraints buffer", so that the next search-match operation only takes these entries into account. Finally, save the document, by selecting "File/Save as..." and entering a reasonable file name for the .mtd-file (which should somehow corresponds to the restraints you have entered).

That's it! Each time you now would like to perform a phase identification limited to the entries that correspond to your restraints, you simply have to open the corresponding document (.mtd file) first, e.g. by double-clicking on this file in the Windows Explorer. Afterwards, you can import your diffraction data and run the search-match as usual.

Please note, however, that you have to repeat the steps mentioned above if you have switched over to a new reference database!

List Selection Box Handling

In the "Restraints" dialog, a list selection box can be opened in each case where a manual/keyboard input of a numerical or text value is required, i.e. in each case where an edit/input line is present. In these cases, you can open a list of all available values for the corresponding field (the so-called "list selection box") by clicking on the corresponding button to the right of the input line.

You can easily select the value(s) you are interested in by clicking on the corresponding lines. Besides this, you can shorten the search for a particular value/line by rapidly typing the first few letters. For instance, if you are looking for an author "Stolpovskaya V.", you can simply type stolp without pausing between the letters, and the corresponding line will instantly be displayed.

If you made a mistake by typing a wrong letter, simply wait for two seconds (which will automatically clear the input buffer) and try again.

Open/import diffraction data using command line

When invoking Match! from the "command line", you can give the path and name of a diffraction data file as "command line parameter". Once Match! has started, the diffraction pattern will be imported automatically (using the automatic file format recognition), with optional further automatic processing.

Note that if your path and/or file name contain blank characters, you have to put " characters in front and after the path/file name string.

Large number entries resulting from search-match

If your search-match calculation gives a large number of candidate entries, there may be two reasons for this:

  • Your diffraction pattern contains a large number of peaks. As a result, the probability that there is an acceptable agreement between reference peak positions and the experimental peaks is rather high, so a large number of entries may have an acceptable figure-of-merit (FoM) value.
    Please inspect the peaks carefully one by one, and delete all those peaks that you are not really sure about. Afterwards, run the search-match again.
  • The "peak correlation 2theta window" is rather large. Normally, this window is adjusted by Match! automatically before the search-match calculation, based on the average FWHM (full width at half maximum) of the experimental peaks. As a consequence, broad peaks (large average FWHM) result in large peak correlation windows, so a large number of peaks (entries) is considered as "matching".
    You can disable the automatic determination of the 2theta peak correlation window size on the lower right-hand side ("Delta 2theta") of the "Search-Match" page of the "Tools/Options" dialog, by deselecting the "Auto" check box below. Try to use/adjust a smaller value for "Delta 2theta", press "Ok", and run the search-match again.