Additional Entries

You can add certain entries to the candidate list despite of any other circumstances/conditions which might prohibit this (e.g. a low FoM-value). This may be useful if you would like these entries to be present in the candidate in any case, e.g. in order to visually check their agreement with the experimental pattern, or to use them as an internal standard for the correction of 2theta errors.

The entries you would like to add are selected on the "Additional entries" tab on the right-hand side, which works just like the Restraints tab.

Note: There are five tabs that can be displayed to the right of the diffraction pattern:

• Restraints
• Additional entries
• Peak list
• Data sheet
• Rietveld

The conditions that define the entries you are interested in are entered on the "Additional entries" tab. Similar to the Restraints tab, this tab provides comfortable methods for the input of chemical composition, crystallographic data, physical properties, bibliographic information etc. For instance, so-called "list selection boxes" (which provide a list of all possible values for a restraint) can be used to easily enter criteria like mineral name, formula sum etc.

Once you have entered a new selection criterion, the index files of the reference database will be searched right away for entries matching the conditions. The candidate list at the bottom will instantly display entries that match your selection criteria ("perpetual restrainting"). You can see the number of entries that match your criteria in the status bar at the bottom of the window.

The "Additional entries" tab provides comfortable facilities for the definition of conditions. It is devided into 7 subpages ("tabsheets") which group the various possible criteria and groups of related topics:

• Composition (e.g. formula sum, elements which must be present or which are excluded etc.)
• Structure (crystal system, unit cell, space group)
• Properties (e.g. density, color, mineral name, PDF quality marks)
• Peaks/Ranges (individual peaks within certain 2θ-ranges)
• References (e.g. author, journal, publication year, entry numbers etc.)
• Subfiles (e.g. PDF or user database, PDF subfiles (Mineral, Organic etc.))

The conditions from all pages are combined by logical AND, whereas two or more values for a certain criterion (e.g. three author names) are combined by logical OR.

Saving of Selection Criteria

If you are frequently using the same restraints (selection criteria) with the current version 1 of Match!, you will instantly know what this feature is about: With the new version, you can easily save the current selection criteria, and recall them later on with just two mouse clicks. Of course, it is possible to save several sets of selection criteria.

You will find the corresponding control elements at the bottom of the "Additional entries" (and also "Restraints") tab to the right of "Preset".

In order to save the current selection criteria (either for restraints or additional entries), simply press the "Save" button. Afterwards, you have to enter a name using which you can easily identify this set of selection criteria later on ("Silicon compounds" in our example).
Your selection criteria will then be stored in your personal settings (e.g. Windows registry). If another person is using the same computer, he can store his own selection criteria independent from your's (of course assuming that he is using his own account on this machine...).

If you would like to recall a certain set of selection criteria, simply press the "arrow down" button of the combobox to the left of the "Save" button, and select the name of the desired selection criteria from the list which opens. That's it! The selection criteria which have been loaded will instantly be applied to the table of candidate entries (candidate list), and of course also to the entries that are investigated during the Search-Match calculation.