| 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>GSAS Nickel example using EXPGUI (part 2)</H1> |
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| 25 | </CENTER> |
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| 26 | <H1> |
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| 27 | 2. Add a phase 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 | Enter the appropriate information in the |
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| 36 | "add new phase" window and press the Add button. |
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| 37 | <img src="addph1.gif"> |
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| 38 | <BR> |
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| 39 | <img src="addph2.gif" ALIGN=LEFT> |
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| 40 | Since a common source of errors is to improperly format |
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| 41 | the space group for GSAS, the generated operators are shown |
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| 42 | in a window. |
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| 43 | These should be checked. |
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| 44 | If you press Redo, you are given a chance to correct |
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| 45 | the space group. |
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| 46 | |
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| 47 | <BR clear=left><P> |
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| 48 | <img src="addph3.gif" ALIGN=LEFT> |
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| 49 | Since the operators above are correct, |
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| 50 | press the Continue button and the |
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| 51 | phase is added and the output created from adding the |
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| 52 | phase is shown in a window. Press OK to continue. |
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| 53 | Press the "1" button that has just been added to |
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| 54 | the Phase pane to display the phase you have just entered. |
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| 55 | |
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| 56 | <BR clear=left><P> |
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| 57 | <a name="phasepane"> |
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| 58 | <img src="addph4.gif"> |
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| 59 | </a> |
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| 60 | <BR clear=left> |
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| 61 | While we could add atoms to the phase now, this will be done later to |
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| 62 | keep in sync with the GSAS tutorial. |
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| 63 | |
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| 64 | <P><BR>(.EXP Snapshot: |
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| 65 | <A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel2.exp"> |
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| 66 | nickel2.exp |
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| 67 | </A>) |
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| 68 | |
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| 69 | <BR clear=left> |
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| 70 | <HR> |
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| 71 | Previous Step: <A HREF="nickel1.html"> |
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| 72 | Create a GSAS Experiment File</A> |
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| 73 | <BR> |
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| 74 | Next step: <A HREF="nickel3.html"> |
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| 75 | Add data (histograms) to the Experiment</A> |
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| 76 | |
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| 77 | <BR clear=left> |
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| 78 | <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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| 79 | <BR clear=left> |
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| 80 | $Revision: 205 $ $Date: 2009-12-04 23:02:09 +0000 (Fri, 04 Dec 2009) $ |
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| 81 | </body> |
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| 82 | </html> |
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