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| 2 | <head> |
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| 3 | <title>EXPGUI Tutorial #3</title> |
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| 5 | |
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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 | <CENTER> |
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| 22 | <H1>EXPGUI Tutorial: Garnet (part 3)</H1> |
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| 23 | </CENTER> |
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| 24 | <H1> |
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| 25 | 3. Add data (histogram) to the Experiment |
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| 26 | </H1> |
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| 27 | |
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| 28 | The next step in the tutorial is to add data. Note that |
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| 29 | GSAS uses the term |
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| 30 | histogram to refer to a powder diffraction data set. |
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| 31 | To add data, switch to the Histogram in EXPGUI pane and press the |
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| 32 | "Add New Histogram" button in the lower right. |
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| 33 | <img src="addhs1.gif" ALIGN=LEFT> |
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| 34 | This brings up the "add new histogram" dialog, to the left. |
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| 35 | Press on the upper "Select File" button for a dialog box to select |
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| 36 | a data file. |
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| 37 | |
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| 38 | <BR clear=left> |
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| 39 | <P><img src="addhs2a.gif" ALIGN=LEFT> |
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| 40 | Select the appropriate file, in this case garnet.raw and press |
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| 41 | the "Open" button. |
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| 42 | |
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| 43 | At this stage, different things can happen. |
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| 44 | If the file is not correctly formatted, |
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| 45 | <A HREF="../tutorial1/nickelnotes.html#reformat">a dialog will offer |
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| 46 | to convert the file to the correct format.</a> |
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| 47 | Also, in some cases, the data file specifies the name of the instrument |
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| 48 | parameter file. If so, that name will be loaded into the "Instrument |
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| 49 | Parameter file" box. If not, as in this case, the file must be selected |
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| 50 | by pressing the lower "Select File" button which creates a |
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| 51 | dialog box to select an instrument parameter file, similar |
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| 52 | to the one above. |
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| 53 | <BR clear=left> |
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| 54 | <P><img src="addhs3a.gif" ALIGN=LEFT> |
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| 55 | The appropriate instrument parameter file is then located and selected. |
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| 56 | Note that since only one bank of data is present in the file, |
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| 57 | bank 1 is selected automatically however one must know something |
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| 58 | about the instrument parameter file to know that bank 1 is the |
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| 59 | appropriate contents. |
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| 60 | Finally one must enter either the minimum d-space or |
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| 61 | maximum two-theta to be used from the data (note that |
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| 62 | this value can be changed later if need be from EXPEDT). A |
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| 63 | good way to do this is to use |
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| 64 | <A HREF="../tutorial1/nickelnotes.html#rawplot">RAWPLOT</A> |
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| 65 | to look at the data. This is done |
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| 66 | by pressing the "Run RAWPLOT" button at the |
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| 67 | lower right <A HREF="../tutorial1/nickelnotes.html#rawplot">(example).</A> |
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| 68 | The GSAS tutorial in the manual suggests using 159 for this refinement. |
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| 69 | |
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| 70 | When all input is complete, press Add to run program EXPTOOL and read the |
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| 71 | data into the .EXP file. |
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| 72 | |
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| 73 | <BR clear=left> |
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| 74 | <P><img src="addhs4a.gif" ALIGN=LEFT> |
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| 75 | The results from the EXPTOOL are shown in a separate box, so |
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| 76 | that errors can be noted. After OK is pressed, the histogram |
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| 77 | is now listed on the Histogram pane (see below). |
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| 78 | |
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| 79 | <BR clear=left> |
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| 80 | <P><img src="addhs5a.gif" ALIGN=LEFT> |
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| 81 | <BR clear=left> |
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| 82 | |
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| 83 | <P><BR>(.EXP Snapshot: |
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| 84 | <A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/garnet3.exp"> |
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| 85 | garnet3.exp |
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| 86 | </A>) |
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| 87 | |
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| 88 | <BR clear=left><HR> |
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| 89 | Previous step: <A HREF="garnet2.html"> |
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| 90 | Add a phase to the Experiment</A> |
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| 91 | <BR> |
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| 92 | Next step: <A HREF="garnet4.html"> |
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| 93 | Run POWPREF and GENLES</A> |
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| 94 | |
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| 95 | <HR> |
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| 96 | </blockquote> |
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| 97 | <P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR> |
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| 98 | <font size=-1><? lastmod(); ?> </font> |
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| 99 | <BR>$Revision: 595 $ $Date: 2009-12-04 23:08:48 +0000 (Fri, 04 Dec 2009) $ |
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| 100 | </body> |
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| 101 | </html> |
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