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/nickel7.html

    r972 r1147  
    2626</H1>
    2727
    28 Before the model can be refined to better fit the data, the
    29 structure must be entered. When starting with a new model
     28Before the model can be refined to better fit the data, one must
     29decide on the order of parameters to be optimized.
     30When starting with a new model
    3031it is a good idea to refine the scale factors for each histogram
    3132and the background terms before refining any structural parameters.
    32 So EXPGUI will be used to check which parameters are set to be refined.
     33So below EXPGUI will be used to check which parameters are set to be refined.
    3334
    34 <img src="addatom1.gif" align=left>
    35 Select a phase by pressing the "1" button in the upper left.
    36 Then add an atom to the model by pressing the "Add New Atom" button
    37 in the lower right side of the Phase pane
    38 <a href="nickel2.html#phasepane">(shown in part 2)</a>.
    39 After entering the atom type, the
    40 coordinates added, and changing the Uiso value to match the example,
    41 press "Add" to add the atom to the .EXP file.
    42 <BR clear=left><P>
    43 <img src="addatom2.gif" align=left>
    44 A box then appears, as shown to the left, to show the results when the atom is read into EXPTOOL.
    45 <BR clear=left><P>
    46 <img src="addatom3.gif">
    47 <BR clear=left>
    48 Note that the atom now appears on the phase page. Also note that the cell
    49 will not be refined, since the "Refine Cell" checkbutton in the upper right
    50 is not checked. Nor are any atomic parameters being refined, since X V and F
    51 do not appear in the ref./damp column.
    52 <BR clear=left>
    53 <P>
    5435<img src="bkg1.gif">
    5536<BR clear=left>
     
    9576<HR>
    9677</blockquote>
    97 <P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
    9878<font size=-1><? lastmod(); ?> </font>
    9979<BR>$Revision$ $Date$
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