Ignore:
Timestamp:
Jul 6, 2011 10:59:49 AM (11 years ago)
Author:
toby
Message:

adding atoms to match disabled tabs

File:
1 edited

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  • tutorials/tutorial1/nickel2.html

    r972 r1147  
    2727
    2828
    29 The next step is to define a phase. (Note that
    30 in EXPEDT, one must define a phase before reading in
    31 histograms but in EXPGUI, this can be done in either order.)
     29The next step is to define a phase. EXPGUI will [now] only allow
     30access to the Phase pane until a phase has been added with at least
     31one atom.
    3232Switch to the Phase pane, and press the "Add Phase" button.
    3333Enter the appropriate information in the
     
    5757</a>
    5858<BR clear=left>
    59 While we could add atoms to the phase now, this will be done later to
    60 keep in sync with the GSAS tutorial.
    61 
    62 <P><BR>(.EXP Snapshot:
     59<P><BR>(.EXP Snapshot at this point:
    6360<A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel2.exp">
    6461nickel2.exp
    6562</A>)
    66 
     63<P>
     64 While the GSAS tutorial adds an atom to the phase later, in EXPGUI this
     65is done now.
     66<img src="addatom1.gif" align=right>
     67If there were more than one phase, we would Select a phase by pressing the "1" button in the upper left.
     68Then add an atom to the model by pressing the "Add New Atom" button
     69in the lower right side of the Phase pane
     70After entering the atom type, the
     71coordinates added, and changing the Uiso value to match the example,
     72press "Add" to add the atom to the .EXP file.
     73<BR clear=left><P>
     74<img src="addatom2.gif" align=left>
     75A box then optionally appears, as shown to the left, to show the results when the atom is read into EXPTOOL.
     76<BR clear=left><P>
     77<img src="addatom3.gif">
     78<BR clear=left>
     79Note that the atom now appears on the phase page. Also note that the cell
     80will not be refined, since the "Refine Cell" checkbutton in the upper right
     81is not checked. Nor are any atomic parameters being refined, since X V and F
     82do not appear in the ref./damp column.
    6783<BR clear=left>
    6884<HR>
     
    7591<HR>
    7692</blockquote>
    77 <P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
    7893<font size=-1><? lastmod(); ?> </font>
    7994<BR>$Revision$ $Date$
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