| 1 | <html> |
|---|
| 2 | <head> |
|---|
| 3 | <META NAME="Author" CONTENT="Brian H. Toby"> |
|---|
| 4 | <title>EXPGUI Tutorial #2</title> |
|---|
| 5 | </head> |
|---|
| 6 | <BODY BGCOLOR="#FFFFFF"> |
|---|
| 7 | |
|---|
| 8 | <A HREF=http://www.ncnr.nist.gov> |
|---|
| 9 | <IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" |
|---|
| 10 | alt="Link to NIST Center for Neutron Research home page" |
|---|
| 11 | ALIGN=RIGHT></A> |
|---|
| 12 | <A HREF=http://www.nist.gov> |
|---|
| 13 | <IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" |
|---|
| 14 | alt="Link to National Institute of Standards & Technology home page" |
|---|
| 15 | ALIGN=LEFT></A> |
|---|
| 16 | <CENTER> |
|---|
| 17 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html"> |
|---|
| 18 | <IMG SRC="tcltklogo100.gif" |
|---|
| 19 | alt="Link to Tcl/Tk information"> |
|---|
| 20 | </CENTER></A> |
|---|
| 21 | <hr> |
|---|
| 22 | |
|---|
| 23 | <CENTER> |
|---|
| 24 | <H1>GSAS Nickel example using EXPGUI (part 2)</H1> |
|---|
| 25 | </CENTER> |
|---|
| 26 | <H1> |
|---|
| 27 | 2. Add a phase to the Experiment |
|---|
| 28 | </H1> |
|---|
| 29 | |
|---|
| 30 | |
|---|
| 31 | The next step is to define a phase. (Note that |
|---|
| 32 | in EXPEDT, one must define a phase before reading in |
|---|
| 33 | histograms but in EXPGUI, this can be done in either order.) |
|---|
| 34 | Switch to the Phase pane, and press the "Add Phase" button. |
|---|
| 35 | Enter the appropriate information in the |
|---|
| 36 | "add new phase" window and press the Add button. |
|---|
| 37 | <img src="addph1.gif"> |
|---|
| 38 | <BR> |
|---|
| 39 | <img src="addph2.gif" ALIGN=LEFT> |
|---|
| 40 | Since a common source of errors is to improperly format |
|---|
| 41 | the space group for GSAS, the generated operators are shown |
|---|
| 42 | in a window. |
|---|
| 43 | These should be checked. |
|---|
| 44 | If you press Redo, you are given a chance to correct |
|---|
| 45 | the space group. |
|---|
| 46 | |
|---|
| 47 | <BR clear=left><P> |
|---|
| 48 | <img src="addph3.gif" ALIGN=LEFT> |
|---|
| 49 | Since the operators above are correct, |
|---|
| 50 | press the Continue button and the |
|---|
| 51 | phase is added and the output created from adding the |
|---|
| 52 | phase is shown in a window. Press OK to continue. |
|---|
| 53 | Press the "1" button that has just been added to |
|---|
| 54 | the Phase pane to display the phase you have just entered. |
|---|
| 55 | |
|---|
| 56 | <BR clear=left><P> |
|---|
| 57 | <img src="addph4.gif"> |
|---|
| 58 | <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: |
|---|
| 63 | <A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel2.exp"> |
|---|
| 64 | nickel2.exp |
|---|
| 65 | </A>) |
|---|
| 66 | |
|---|
| 67 | <BR clear=left> |
|---|
| 68 | <HR> |
|---|
| 69 | Previous Step: <A HREF="nickel1.html"> |
|---|
| 70 | Create a GSAS Experiment File</A> |
|---|
| 71 | <BR> |
|---|
| 72 | Next step: <A HREF="nickel3.html"> |
|---|
| 73 | Add data (histograms) to the Experiment</A> |
|---|
| 74 | |
|---|
| 75 | <BR clear=left> |
|---|
| 76 | <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>) |
|---|
| 77 | <BR clear=left> |
|---|
| 78 | $Revision: 158 $ $Date: 2009-12-04 23:01:22 +0000 (Fri, 04 Dec 2009) $ |
|---|
| 79 | </body> |
|---|
| 80 | </html> |
|---|
