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| 2 | <head> |
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| 3 | <title>EXPGUI Alumina Tutorial, part #1</title> |
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| 4 | </head> |
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| 5 | |
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| 6 | <style> |
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| 7 | A:link {text-decoration:none} |
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| 11 | <BODY BGCOLOR="#FFFFFF" |
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| 13 | text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff"> |
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| 14 | |
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| 15 | <? |
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| 16 | include("/var/www/include/navigation.inc"); |
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| 17 | include("/var/www/include/utility.inc"); |
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| 18 | ?> |
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| 19 | <blockquote> |
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| 20 | |
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| 21 | <TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT> |
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| 22 | <TR><TH><A Href="index.html">Intro</A> |
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| 23 | </TH><TH><A Href="alumina2.html">Next page</A> |
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| 24 | </TH><TH><A Href="index.html">Previous page</A> |
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| 25 | </TH></TR></TABLE><BR CLEAR=ALL> |
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| 26 | |
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| 27 | <CENTER> |
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| 28 | <H1> |
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| 29 | <HR noshade width="75%" size="2" align="center"> |
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| 30 | GSAS/EXPGUI Alumina tutorial (part 1)<BR> |
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| 31 | Creating an Experiment File |
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| 32 | <HR noshade width="75%" size="2" align="center"> |
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| 33 | </H1> |
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| 34 | </CENTER> |
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| 35 | |
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| 36 | For this exercise we will use the EXPGUI interface to access the |
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| 37 | features of GSAS. |
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| 38 | The method used to start EXPGUI depends on what type of computer you are |
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| 39 | using. On Windows, EXPGUI is typically started by clicking on the appropriate |
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| 40 | desktop icon, or by selecting an entry in the START menu. |
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| 41 | In Unix, it is typically started |
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| 42 | by typing the command expgui in a Unix terminal window (it is also possible |
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| 43 | to create icons & menu entries in some versions of Unix). |
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| 44 | |
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| 45 | <P><HR noshade width="50%" size="4" align="center"><P> |
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| 46 | |
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| 47 | <img alt="tutorial screen dump" src="1a.gif" align=RIGHT> |
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| 48 | In all platforms, once EXPGUI has been started, |
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| 49 | a GSAS Experiment (.EXP) file must be selected. |
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| 50 | The window shown to the right is opened when EXPGUI is started, |
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| 51 | where file to be used is selected. |
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| 52 | The .EXP file is the heart of a GSAS project. While other files |
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| 53 | are used by GSAS programs, all structural information and control parameters |
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| 54 | are contained within this file. |
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| 55 | <P> |
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| 56 | The first step in this tutorial |
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| 57 | is to select the directory where the al2o3001.gsa, bt1demo.ins and |
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| 58 | alumina.cif files were placed. Do this by clicking |
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| 59 | on the "Directory" button at the top of the window, or by navigating |
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| 60 | up and down the directory tree by clicking |
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| 61 | on the "<Parent>" or individual directory names. |
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| 62 | Clicking on the folder icon with an arrow on it |
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| 63 | (to the right of the directory button) |
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| 64 | has the same effect as the the "<Parent>" entry. |
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| 65 | <P> |
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| 66 | Once the correct directory has been located, the next step is to create |
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| 67 | a new, empty, .EXP file. |
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| 68 | To do this, the file name we wish to use (corundum) is typed into |
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| 69 | the bottom box of the file selection window. |
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| 70 | Note that the capitalization you use here does not |
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| 71 | matter and .EXP is added by default. |
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| 72 | After the name has been entered press the "Read" button or |
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| 73 | press the keyboard "Enter" key. |
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| 74 | <BR clear=all> |
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| 75 | <P><HR noshade width="50%" size="4" align="center"><P> |
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| 76 | <img alt="tutorial screen dump" src="1b.gif" align=RIGHT> |
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| 77 | To make sure that you really intend to create a new Experiment file, |
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| 78 | rather than the more common task of opening a previous file, the |
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| 79 | warning message to the right is displayed and you must click on the "Create" |
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| 80 | button to continue. |
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| 81 | <BR clear=all> |
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| 82 | <P><HR noshade width="50%" size="4" align="center"><P> |
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| 83 | <img alt="tutorial screen dump" src="1c.gif" align=RIGHT> |
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| 84 | At this point, you are prompted to provide an overall title for the experiment |
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| 85 | file. Enter anything you would like (preferably something that will remind |
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| 86 | you what you were doing a year from now, when you try to figure out what |
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| 87 | this strange file was for. When you have finished entering information, press |
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| 88 | the "Set" button. |
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| 89 | <BR clear=all> |
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| 90 | <P><HR noshade width="50%" size="4" align="center"><P> |
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| 91 | At this point, the Experiment file, CORUNDUM.EXP, has been created |
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| 92 | and EXPGUI displays what (little) information can be found in this file, as is |
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| 93 | seen below: |
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| 94 | <P><img alt="tutorial screen dump" src="1d.gif"><BR clear=all><P> |
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| 95 | Note that the title is displayed near the top of the window in a "edit" |
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| 96 | box -- this title can be changed simply by typing into the box. |
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| 97 | Above the title is the last "history record." GSAS |
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| 98 | records a history record each time a program is run that modifies |
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| 99 | the .EXP file and this information is displayed here. |
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| 100 | In the next step we will start adding information to this experiment file. |
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| 101 | <BR clear=all> |
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| 102 | <HR> |
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| 103 | Previous: <A HREF="index.html"> |
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| 104 | Introduction</A> |
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| 105 | <BR> |
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| 106 | Next step: <A HREF="alumina2.html"> |
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| 107 | Add a phase to the Experiment</A> |
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| 108 | |
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| 109 | <HR> |
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| 110 | </blockquote> |
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| 111 | <P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR> |
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| 112 | <font size=-1><? lastmod(); ?> |
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| 113 | <BR>$Revision: 618 $ $Date: 2009-12-04 23:09:11 +0000 (Fri, 04 Dec 2009) $</font> |
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| 114 | </body> |
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| 115 | </html> |
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