| 1 | <html> |
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| 2 | <head> |
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| 3 | <META NAME="Author" CONTENT="Brian H. Toby"> |
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| 4 | <title>EXPGUI Tutorial #2</title> |
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| 5 | </head> |
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| 6 | <BODY BGCOLOR="#FFFFFF"> |
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| 7 | |
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| 8 | <A HREF=http://www.ncnr.nist.gov> |
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| 9 | <IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" |
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| 10 | alt="Link to NIST Center for Neutron Research home page" |
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| 11 | ALIGN=RIGHT></A> |
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| 12 | <A HREF=http://www.nist.gov> |
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| 13 | <IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" |
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| 14 | alt="Link to National Institute of Standards & Technology home page" |
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| 15 | ALIGN=LEFT></A> |
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| 16 | <CENTER> |
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| 17 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html"> |
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| 18 | <IMG SRC="tcltklogo100.gif" |
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| 19 | alt="Link to Tcl/Tk information"> |
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| 20 | </CENTER></A> |
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| 21 | <hr> |
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| 22 | |
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| 23 | <CENTER> |
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| 24 | <H1>EXPGUI Tutorial: Garnet (part 2)</H1> |
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| 25 | </CENTER> |
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| 26 | <H1> |
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| 27 | 2. Add a phase and atoms to the Experiment |
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| 28 | </H1> |
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| 29 | |
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| 30 | |
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| 31 | The next step is to define a phase. (Note that |
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| 32 | in EXPEDT, one must define a phase before reading in |
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| 33 | histograms but in EXPGUI, this can be done in either order.) |
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| 34 | Switch to the Phase pane, and press the "Add Phase" button. |
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| 35 | <BR> |
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| 36 | <img src="addph1.gif"> |
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| 37 | <BR>Enter the appropriate information in the |
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| 38 | add new phase window and press the "Add" button. |
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| 39 | <P> |
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| 40 | <img src="addph2.gif" ALIGN=LEFT> |
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| 41 | Since a common source of errors is to improperly format |
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| 42 | the space group for GSAS, the generated operators are shown |
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| 43 | in a window. |
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| 44 | These should be checked. |
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| 45 | |
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| 46 | <BR clear=left><P> |
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| 47 | <img src="addph3.gif" ALIGN=LEFT> |
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| 48 | Since the operators above are correct, |
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| 49 | press the Continue button and the |
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| 50 | phase is added and the output created from adding the |
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| 51 | phase is shown in a window. Press OK to continue. |
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| 52 | Press the "1" button that has just been added to |
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| 53 | the Phase pane to display the phase you have just entered. |
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| 54 | |
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| 55 | <BR clear=left><P> |
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| 56 | <img src="addph4.gif"> |
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| 57 | <BR clear=left> |
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| 58 | Now we will add the atoms to the phase |
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| 59 | by pressing the "Add New Atom" button |
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| 60 | in the lower left of the Phase pane. |
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| 61 | <BR clear=left> |
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| 62 | <img src="addatom1.gif" align=left> |
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| 63 | At first the add atom menu appears with room for a |
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| 64 | single atom to be added. Press the "More atoms" button 5 times to create |
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| 65 | spaces for six atoms and add the atom information found on page 66. |
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| 66 | <BR clear=left> |
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| 67 | <P><img src="addatom2.gif" align=left> |
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| 68 | After all atoms have been typed in, press the "Add Atoms" button and then |
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| 69 | the screen below appears, so that it can be verified that the atoms |
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| 70 | have been added correctly. |
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| 71 | <BR clear=left> |
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| 72 | <P> |
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| 73 | <img src="addatom3.gif" align=left> |
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| 74 | After pressing OK. The contents of the phase is displayed as is shown below. |
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| 75 | <BR clear=left> |
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| 76 | <P><img src="addatom4.gif"> |
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| 77 | <BR clear=left> |
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| 78 | |
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| 79 | <P><BR>(.EXP Snapshot: |
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| 80 | <A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/garnet2.exp"> |
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| 81 | garnet2.exp |
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| 82 | </A>) |
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| 83 | |
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| 84 | <BR clear=left> |
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| 85 | <HR> |
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| 86 | Previous Step: <A HREF="garnet1.html"> |
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| 87 | Create a GSAS Experiment File</A> |
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| 88 | <BR> |
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| 89 | Next step: <A HREF="garnet3.html"> |
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| 90 | Add data (histogram) to the Experiment</A> |
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| 91 | |
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| 92 | <BR clear=left> |
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| 93 | <HR><p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>) |
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| 94 | <BR clear=left> |
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| 95 | $Revision: 169 $ $Date: 2009-12-04 23:01:33 +0000 (Fri, 04 Dec 2009) $ |
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| 96 | </body> |
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| 97 | </html> |
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