| [224] | 1 | <html> |
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| 2 | <head> |
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| 3 | <title>EXPGUI</title> |
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| [511] | 4 | <meta name="keywords" content="crystallography, Rietveld, diffraction, |
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| 5 | GSAS, EXPGUI"> |
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| 6 | </HEAD> |
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| 7 | <style> |
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| 8 | A:link {text-decoration:none} |
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| 9 | A:vlink {text-decoration:none} |
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| 10 | </style> |
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| [224] | 11 | |
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| [511] | 12 | <BODY BGCOLOR="#FFFFFF" |
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| 13 | topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" |
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| 14 | text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff"> |
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| [224] | 15 | |
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| [511] | 16 | <? |
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| 17 | include("/var/www/include/navigation.inc"); |
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| 18 | include("/var/www/include/utility.inc"); |
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| 19 | ?> |
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| 20 | <blockquote><font face="arial, helvetica, sans-serif"> |
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| 21 | |
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| [277] | 22 | <TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT> |
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| 23 | <TR><TH><A Href="expgui.html">EXPGUI top</A> |
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| [446] | 24 | </TH><TH><A Href="expguic.html">Next page (Menus)</A> |
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| [277] | 25 | </TH><TH><A Href="expgui6.html">Previous page</A> |
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| 26 | </TH></TR></TABLE><BR CLEAR=ALL> |
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| 27 | |
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| [224] | 28 | <center><h1> |
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| [511] | 29 | <HR noshade width="75%" size="2" align="center"> |
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| [277] | 30 | EXPGUI, part 7 |
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| [511] | 31 | <HR noshade width="75%" size="2" align="center"> |
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| [224] | 32 | </h1></center> |
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| 33 | |
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| 34 | <h3>A.7 Preferential Orientation Pane</h3></a> |
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| 35 | <DL><DL> |
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| 36 | The Preferential Orientation Pane is used to control parameters related |
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| 37 | to fitting parameters using the March-Dollase formulation |
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| [244] | 38 | or the spherical harmonic formulation |
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| 39 | for preferred orientation. Note that GSAS allows both sets of terms to be |
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| 40 | used at the same time, but it seems unlikely that anyone would |
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| 41 | actually want to try this. |
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| 42 | |
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| 43 | </DL></DL> |
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| [313] | 44 | <a name="MD"></a> |
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| [244] | 45 | <h4>A.7.a March-Dollase</H4> |
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| 46 | <DL><DL> |
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| 47 | In this model one or more axes are designated |
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| [224] | 48 | as directions [designated by (<i>hkl</i>)] where crystallites are over |
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| 49 | (Ratio > 1) or underrepresented (Ratio < 1). |
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| 50 | The checkbox to the right of the Ratio value determines if it will |
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| 51 | be refined. |
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| 52 | </DL></DL> |
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| [298] | 53 | <img SRC="po1.gif" align=TEXTTOP alt="EXPGUI Screen snapshot"> |
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| [224] | 54 | <DL><DL> |
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| 55 | If more than one axis is present, one must define the relative fraction |
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| 56 | of preferred orientation for each direction. These fractions are normalized, |
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| 57 | so do not vary the fractions for all directions in a phase. |
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| 58 | </DL></DL> |
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| [298] | 59 | <img SRC="po2.gif" align=TEXTTOP alt="EXPGUI Screen snapshot"> |
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| [224] | 60 | <DL><DL> |
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| 61 | If |
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| 62 | <A href="expgui.html#multiplehistogram"> |
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| 63 | "Multiple Histogram Selection" mode</A> is set to any value other than |
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| 64 | "Off", all terms are displayed for all selected histograms. |
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| 65 | No attempt is made to group terms or flags. |
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| [244] | 66 | |
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| [224] | 67 | </DL></DL> |
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| [313] | 68 | <a name="ODF"></a> |
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| [244] | 69 | <H4>A.7.b Spherical harmonic</H4> |
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| 70 | <DL><DL> |
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| 71 | The spherical harmonic formulation, also referred to as an "orientation |
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| 72 | distribution function" defines a set of terms to treat preferential |
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| 73 | orientation as a function of the sample symmetry and as a function of |
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| 74 | the Laue phase symmetry of the phase and the selected order expansion. |
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| 75 | Note that only one set of terms |
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| 76 | is used for each phase, so this function should not be used when the |
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| 77 | different types of powder data, |
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| 78 | for example neutron and x-ray data, are used in a single refinement. |
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| 79 | The setting angles define the orientation of the sample with respect to |
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| 80 | the detectors and are typically used for texture analysis using TOF data |
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| 81 | only. |
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| [224] | 82 | |
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| [244] | 83 | </DL></DL> |
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| [298] | 84 | <img SRC="po3.gif" align=TEXTTOP alt="EXPGUI Screen snapshot"> |
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| [244] | 85 | <DL><DL> |
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| 86 | When more than one phase is present, the phase is selected with the buttons |
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| 87 | in the upper left. Note that |
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| 88 | when additional terms are added by increasing the spherical harmonic order, |
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| 89 | the new parameters default to zero. Thus, is the order is set to zero |
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| 90 | and then reset to the previous non-zero value, all terms will be |
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| 91 | reset to zero. |
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| 92 | Also, as in EXPEDT, when the sample symmetry is changed, the |
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| 93 | order is reset to zero. |
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| 94 | </DL></DL> |
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| 95 | |
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| [224] | 96 | <hr> |
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| [277] | 97 | <TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT> |
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| 98 | <TR><TH><A Href="expgui.html">EXPGUI top</A> |
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| [446] | 99 | </TH><TH><A Href="expguic.html">Next page (Menus)</A> |
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| [277] | 100 | </TH><TH><A Href="expgui6.html">Previous page</A> |
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| 101 | </TH></TR></TABLE> |
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| [224] | 102 | |
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| [573] | 103 | <P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR> |
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| 104 | <font size=-1><? lastmod(); ?> </font> |
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| 105 | <br>$Revision: 573 $ $Date: 2009-12-04 23:08:26 +0000 (Fri, 04 Dec 2009) $ |
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| [511] | 106 | </blockquote> |
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| [224] | 107 | </body> |
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| 108 | </html> |
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