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EXPGUI

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A.2 Phase Pane

The phase pane is used to edit information about the structural model(s) found in the experiment file. The flags for refining the unit cell and atomic parameters, as well as ther damping values, can be set on this pane. Note that if a single atom is selected using the mouse, the information for that atom can be edited. If a group of atoms is selected (see Mouse Actions) the damping and refinement flags for all the selected atoms are changed.

If the EXPTOOL program (see the installation instructions) is installed, buttons for adding phases and atoms will appear on this pane, as seen below. If the program is not properly installed, no errors occur, but the buttons do not appear.

Note that the order that atoms appear in this pane is determined by the "Sort Atoms by" option in the Options Menu. The parameter used for sorting is designated with a "*" on the title line above the atoms. Clicking on this title line rotates through the sorting modes.

If one or more atoms have been selected (see Mouse Actions), it is possible to transform the atom coordinates, globally set occupancy or Uiso (Uequiv) values for the selected atoms, or erase the selected atoms, by pressing the "Xform atom(s)" button. It is also possible to transform the selected atoms from isotropic to anisotropic, or the reverse. Note that no changes are actually made, until the "Transform Coordinates", "Set Occupancies",... buttons are pressed.


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Brian Toby (Brian.Toby@NIST.GOV)
$Revision: 259 $ $Date: 2009-12-04 23:03:04 +0000 (Fri, 04 Dec 2009) $