| 1 | <html xmlns:v="urn:schemas-microsoft-com:vml" |
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| 2 | xmlns:o="urn:schemas-microsoft-com:office:office" |
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| 3 | xmlns:w="urn:schemas-microsoft-com:office:word" |
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| 4 | xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" |
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| 5 | xmlns:mv="http://macVmlSchemaUri" xmlns="http://www.w3.org/TR/REC-html40"> |
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| 6 | |
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| 7 | <head> |
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| 8 | <meta name=Title content=""> |
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| 9 | <meta name=Keywords content=""> |
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| 10 | <meta http-equiv=Content-Type content="text/html; charset=macintosh"> |
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| 11 | <meta name=ProgId content=Word.Document> |
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| 12 | <meta name=Generator content="Microsoft Word 14"> |
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| 13 | <meta name=Originator content="Microsoft Word 14"> |
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| 14 | <link rel=File-List href="FapatitleExample_files/filelist.xml"> |
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| 15 | <link rel=Edit-Time-Data href="FapatitleExample_files/editdata.mso"> |
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| 16 | <!--[if !mso]> |
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| 17 | <style> |
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| 18 | v\:* {behavior:url(#default#VML);} |
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| 19 | o\:* {behavior:url(#default#VML);} |
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| 20 | w\:* {behavior:url(#default#VML);} |
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| 21 | .shape {behavior:url(#default#VML);} |
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| 22 | </style> |
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| 23 | <![endif]--><!--[if gte mso 9]><xml> |
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| 24 | <o:DocumentProperties> |
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| 25 | <o:Author>B Toby</o:Author> |
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| 26 | <o:LastAuthor>B Toby</o:LastAuthor> |
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| 27 | <o:Revision>5</o:Revision> |
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| 28 | <o:TotalTime>100</o:TotalTime> |
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| 29 | <o:LastPrinted>2012-06-22T19:54:00Z</o:LastPrinted> |
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| 30 | <o:Created>2012-06-22T20:12:00Z</o:Created> |
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| 31 | <o:LastSaved>2012-06-22T23:31:00Z</o:LastSaved> |
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| 32 | <o:Pages>15</o:Pages> |
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| 33 | <o:Words>1002</o:Words> |
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| 34 | <o:Characters>5714</o:Characters> |
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| 35 | <o:Company>Argonne National Laboratory</o:Company> |
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| 36 | <o:Lines>47</o:Lines> |
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| 37 | <o:Paragraphs>13</o:Paragraphs> |
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| 38 | <o:CharactersWithSpaces>6703</o:CharactersWithSpaces> |
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| 39 | <o:Version>14.0</o:Version> |
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| 40 | </o:DocumentProperties> |
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| 41 | <o:OfficeDocumentSettings> |
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| 42 | <o:AllowPNG/> |
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| 43 | </o:OfficeDocumentSettings> |
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| 44 | </xml><![endif]--> |
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| 45 | <link rel=themeData href="FapatitleExample_files/themedata.xml"> |
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| 46 | <!--[if gte mso 9]><xml> |
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| 47 | <w:WordDocument> |
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| 48 | <w:SpellingState>Clean</w:SpellingState> |
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| 49 | <w:GrammarState>Clean</w:GrammarState> |
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| 51 | <w:TrackFormatting/> |
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| 52 | <w:DisplayHorizontalDrawingGridEvery>0</w:DisplayHorizontalDrawingGridEvery> |
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| 53 | <w:DisplayVerticalDrawingGridEvery>0</w:DisplayVerticalDrawingGridEvery> |
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| 54 | <w:UseMarginsForDrawingGridOrigin/> |
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| 55 | <w:ValidateAgainstSchemas>false</w:ValidateAgainstSchemas> |
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| 56 | <w:SaveIfXMLInvalid>false</w:SaveIfXMLInvalid> |
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| 57 | <w:IgnoreMixedContent>false</w:IgnoreMixedContent> |
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| 58 | <w:AlwaysShowPlaceholderText>false</w:AlwaysShowPlaceholderText> |
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| 59 | <w:DoNotUnderlineInvalidXML/> |
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| 60 | <w:DoNotPromoteQF/> |
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| 61 | <w:LidThemeOther>EN-US</w:LidThemeOther> |
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| 62 | <w:LidThemeAsian>JA</w:LidThemeAsian> |
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| 63 | <w:LidThemeComplexScript>X-NONE</w:LidThemeComplexScript> |
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| 64 | <w:Compatibility> |
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| 65 | <w:BreakWrappedTables/> |
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| 66 | <w:SnapToGridInCell/> |
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| 67 | <w:WrapTextWithPunct/> |
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| 68 | <w:UseAsianBreakRules/> |
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| 69 | <w:DontGrowAutofit/> |
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| 70 | <w:DontUseIndentAsNumberingTabStop/> |
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| 71 | <w:FELineBreak11/> |
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| 72 | <w:WW11IndentRules/> |
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| 73 | <w:DontAutofitConstrainedTables/> |
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| 74 | <w:AutofitLikeWW11/> |
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| 75 | <w:HangulWidthLikeWW11/> |
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| 76 | <w:UseNormalStyleForList/> |
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| 77 | <w:DontVertAlignCellWithSp/> |
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| 78 | <w:DontBreakConstrainedForcedTables/> |
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| 79 | <w:DontVertAlignInTxbx/> |
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| 80 | <w:Word11KerningPairs/> |
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| 81 | <w:CachedColBalance/> |
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| 82 | <w:UseFELayout/> |
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| 83 | </w:Compatibility> |
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| 84 | <m:mathPr> |
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| 85 | <m:mathFont m:val="Cambria Math"/> |
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| 86 | <m:brkBin m:val="before"/> |
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| 87 | <m:brkBinSub m:val="--"/> |
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| 88 | <m:smallFrac/> |
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| 89 | <m:dispDef/> |
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| 90 | <m:lMargin m:val="0"/> |
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| 91 | <m:rMargin m:val="0"/> |
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| 92 | <m:defJc m:val="centerGroup"/> |
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| 93 | <m:wrapRight/> |
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| 94 | <m:intLim m:val="subSup"/> |
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| 95 | <m:naryLim m:val="subSup"/> |
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| 96 | </m:mathPr></w:WordDocument> |
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| 97 | </xml><![endif]--><!--[if gte mso 9]><xml> |
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| 98 | <w:LatentStyles DefLockedState="false" DefUnhideWhenUsed="true" |
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| 99 | DefSemiHidden="true" DefQFormat="false" DefPriority="99" |
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| 100 | LatentStyleCount="276"> |
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| 101 | <w:LsdException Locked="false" Priority="0" SemiHidden="false" |
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| 102 | UnhideWhenUsed="false" QFormat="true" Name="Normal"/> |
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| 103 | <w:LsdException Locked="false" Priority="9" SemiHidden="false" |
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| 104 | UnhideWhenUsed="false" QFormat="true" Name="heading 1"/> |
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| 105 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 2"/> |
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| 106 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 3"/> |
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| 107 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 4"/> |
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| 108 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 5"/> |
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| 109 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 6"/> |
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| 110 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 7"/> |
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| 111 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 8"/> |
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| 112 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 9"/> |
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| 113 | <w:LsdException Locked="false" Priority="39" Name="toc 1"/> |
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| 114 | <w:LsdException Locked="false" Priority="39" Name="toc 2"/> |
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| 115 | <w:LsdException Locked="false" Priority="39" Name="toc 3"/> |
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| 116 | <w:LsdException Locked="false" Priority="39" Name="toc 4"/> |
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| 117 | <w:LsdException Locked="false" Priority="39" Name="toc 5"/> |
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| 118 | <w:LsdException Locked="false" Priority="39" Name="toc 6"/> |
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| 119 | <w:LsdException Locked="false" Priority="39" Name="toc 7"/> |
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| 120 | <w:LsdException Locked="false" Priority="39" Name="toc 8"/> |
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| 121 | <w:LsdException Locked="false" Priority="39" Name="toc 9"/> |
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| 122 | <w:LsdException Locked="false" Priority="35" QFormat="true" Name="caption"/> |
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| 123 | <w:LsdException Locked="false" Priority="10" SemiHidden="false" |
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| 124 | UnhideWhenUsed="false" QFormat="true" Name="Title"/> |
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| 125 | <w:LsdException Locked="false" Priority="1" Name="Default Paragraph Font"/> |
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| 126 | <w:LsdException Locked="false" Priority="11" SemiHidden="false" |
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| 127 | UnhideWhenUsed="false" QFormat="true" Name="Subtitle"/> |
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| 128 | <w:LsdException Locked="false" Priority="22" SemiHidden="false" |
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| 129 | UnhideWhenUsed="false" QFormat="true" Name="Strong"/> |
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| 130 | <w:LsdException Locked="false" Priority="20" SemiHidden="false" |
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| 131 | UnhideWhenUsed="false" QFormat="true" Name="Emphasis"/> |
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| 132 | <w:LsdException Locked="false" Priority="59" SemiHidden="false" |
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| 133 | UnhideWhenUsed="false" Name="Table Grid"/> |
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| 134 | <w:LsdException Locked="false" UnhideWhenUsed="false" Name="Placeholder Text"/> |
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| 135 | <w:LsdException Locked="false" Priority="1" UnhideWhenUsed="false" |
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| 136 | QFormat="true" Name="No Spacing"/> |
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| 137 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 141 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 142 | UnhideWhenUsed="false" Name="Light Grid"/> |
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| 143 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 144 | UnhideWhenUsed="false" Name="Medium Shading 1"/> |
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| 145 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 146 | UnhideWhenUsed="false" Name="Medium Shading 2"/> |
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| 147 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
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| 148 | UnhideWhenUsed="false" Name="Medium List 1"/> |
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| 149 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 150 | UnhideWhenUsed="false" Name="Medium List 2"/> |
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| 151 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 152 | UnhideWhenUsed="false" Name="Medium Grid 1"/> |
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| 153 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
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| 154 | UnhideWhenUsed="false" Name="Medium Grid 2"/> |
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| 155 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 156 | UnhideWhenUsed="false" Name="Medium Grid 3"/> |
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| 157 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 158 | UnhideWhenUsed="false" Name="Dark List"/> |
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| 159 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 160 | UnhideWhenUsed="false" Name="Colorful Shading"/> |
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| 161 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 162 | UnhideWhenUsed="false" Name="Colorful List"/> |
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| 163 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
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| 164 | UnhideWhenUsed="false" Name="Colorful Grid"/> |
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| 165 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 166 | UnhideWhenUsed="false" Name="Light Shading Accent 1"/> |
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| 167 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
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| 168 | UnhideWhenUsed="false" Name="Light List Accent 1"/> |
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| 169 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 170 | UnhideWhenUsed="false" Name="Light Grid Accent 1"/> |
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| 171 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 172 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 1"/> |
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| 173 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 174 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 1"/> |
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| 175 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
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| 176 | UnhideWhenUsed="false" Name="Medium List 1 Accent 1"/> |
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| 177 | <w:LsdException Locked="false" UnhideWhenUsed="false" Name="Revision"/> |
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| 178 | <w:LsdException Locked="false" Priority="34" SemiHidden="false" |
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| 179 | UnhideWhenUsed="false" QFormat="true" Name="List Paragraph"/> |
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| 180 | <w:LsdException Locked="false" Priority="29" SemiHidden="false" |
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| 181 | UnhideWhenUsed="false" QFormat="true" Name="Quote"/> |
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| 182 | <w:LsdException Locked="false" Priority="30" SemiHidden="false" |
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| 183 | UnhideWhenUsed="false" QFormat="true" Name="Intense Quote"/> |
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| 184 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 185 | UnhideWhenUsed="false" Name="Medium List 2 Accent 1"/> |
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| 186 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 187 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 1"/> |
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| 188 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
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| 189 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 1"/> |
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| 190 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 191 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 1"/> |
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| 192 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 193 | UnhideWhenUsed="false" Name="Dark List Accent 1"/> |
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| 194 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 195 | UnhideWhenUsed="false" Name="Colorful Shading Accent 1"/> |
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| 196 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 197 | UnhideWhenUsed="false" Name="Colorful List Accent 1"/> |
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| 198 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
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| 199 | UnhideWhenUsed="false" Name="Colorful Grid Accent 1"/> |
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| 200 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 201 | UnhideWhenUsed="false" Name="Light Shading Accent 2"/> |
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| 202 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
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| 203 | UnhideWhenUsed="false" Name="Light List Accent 2"/> |
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| 204 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 205 | UnhideWhenUsed="false" Name="Light Grid Accent 2"/> |
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| 206 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 207 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 2"/> |
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| 208 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 209 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 2"/> |
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| 210 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
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| 211 | UnhideWhenUsed="false" Name="Medium List 1 Accent 2"/> |
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| 212 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 213 | UnhideWhenUsed="false" Name="Medium List 2 Accent 2"/> |
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| 214 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 215 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 2"/> |
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| 216 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
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| 217 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 2"/> |
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| 218 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 219 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 2"/> |
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| 220 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 221 | UnhideWhenUsed="false" Name="Dark List Accent 2"/> |
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| 222 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 223 | UnhideWhenUsed="false" Name="Colorful Shading Accent 2"/> |
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| 224 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 225 | UnhideWhenUsed="false" Name="Colorful List Accent 2"/> |
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| 226 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
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| 227 | UnhideWhenUsed="false" Name="Colorful Grid Accent 2"/> |
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| 228 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 229 | UnhideWhenUsed="false" Name="Light Shading Accent 3"/> |
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| 230 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
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| 231 | UnhideWhenUsed="false" Name="Light List Accent 3"/> |
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| 232 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 233 | UnhideWhenUsed="false" Name="Light Grid Accent 3"/> |
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| 234 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 235 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 3"/> |
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| 236 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 237 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 3"/> |
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| 238 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
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| 239 | UnhideWhenUsed="false" Name="Medium List 1 Accent 3"/> |
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| 240 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 241 | UnhideWhenUsed="false" Name="Medium List 2 Accent 3"/> |
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| 242 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 243 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 3"/> |
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| 244 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
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| 245 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 3"/> |
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| 246 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 247 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 3"/> |
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| 248 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 249 | UnhideWhenUsed="false" Name="Dark List Accent 3"/> |
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| 250 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 251 | UnhideWhenUsed="false" Name="Colorful Shading Accent 3"/> |
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| 252 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 253 | UnhideWhenUsed="false" Name="Colorful List Accent 3"/> |
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| 254 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
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| 255 | UnhideWhenUsed="false" Name="Colorful Grid Accent 3"/> |
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| 256 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 257 | UnhideWhenUsed="false" Name="Light Shading Accent 4"/> |
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| 258 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
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| 259 | UnhideWhenUsed="false" Name="Light List Accent 4"/> |
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| 260 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 261 | UnhideWhenUsed="false" Name="Light Grid Accent 4"/> |
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| 262 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 263 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 4"/> |
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| 264 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 265 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 4"/> |
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| 266 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
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| 267 | UnhideWhenUsed="false" Name="Medium List 1 Accent 4"/> |
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| 268 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 269 | UnhideWhenUsed="false" Name="Medium List 2 Accent 4"/> |
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| 270 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 271 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 4"/> |
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| 272 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
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| 273 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 4"/> |
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| 274 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 275 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 4"/> |
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| 276 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 277 | UnhideWhenUsed="false" Name="Dark List Accent 4"/> |
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| 278 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 279 | UnhideWhenUsed="false" Name="Colorful Shading Accent 4"/> |
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| 280 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 281 | UnhideWhenUsed="false" Name="Colorful List Accent 4"/> |
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| 282 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
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| 283 | UnhideWhenUsed="false" Name="Colorful Grid Accent 4"/> |
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| 284 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
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| 285 | UnhideWhenUsed="false" Name="Light Shading Accent 5"/> |
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| 286 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
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| 287 | UnhideWhenUsed="false" Name="Light List Accent 5"/> |
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| 288 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
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| 289 | UnhideWhenUsed="false" Name="Light Grid Accent 5"/> |
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| 290 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
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| 291 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 5"/> |
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| 292 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
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| 293 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 5"/> |
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| 294 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
|---|
| 295 | UnhideWhenUsed="false" Name="Medium List 1 Accent 5"/> |
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| 296 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
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| 297 | UnhideWhenUsed="false" Name="Medium List 2 Accent 5"/> |
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| 298 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
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| 299 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 5"/> |
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| 300 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
|---|
| 301 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 5"/> |
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| 302 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
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| 303 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 5"/> |
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| 304 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
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| 305 | UnhideWhenUsed="false" Name="Dark List Accent 5"/> |
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| 306 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
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| 307 | UnhideWhenUsed="false" Name="Colorful Shading Accent 5"/> |
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| 308 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
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| 309 | UnhideWhenUsed="false" Name="Colorful List Accent 5"/> |
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|---|
| 311 | UnhideWhenUsed="false" Name="Colorful Grid Accent 5"/> |
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| 312 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
|---|
| 313 | UnhideWhenUsed="false" Name="Light Shading Accent 6"/> |
|---|
| 314 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
|---|
| 315 | UnhideWhenUsed="false" Name="Light List Accent 6"/> |
|---|
| 316 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
|---|
| 317 | UnhideWhenUsed="false" Name="Light Grid Accent 6"/> |
|---|
| 318 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
|---|
| 319 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 6"/> |
|---|
| 320 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
|---|
| 321 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 6"/> |
|---|
| 322 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
|---|
| 323 | UnhideWhenUsed="false" Name="Medium List 1 Accent 6"/> |
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| 324 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
|---|
| 325 | UnhideWhenUsed="false" Name="Medium List 2 Accent 6"/> |
|---|
| 326 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
|---|
| 327 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 6"/> |
|---|
| 328 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
|---|
| 329 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 6"/> |
|---|
| 330 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
|---|
| 331 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 6"/> |
|---|
| 332 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
|---|
| 333 | UnhideWhenUsed="false" Name="Dark List Accent 6"/> |
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| 334 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
|---|
| 335 | UnhideWhenUsed="false" Name="Colorful Shading Accent 6"/> |
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| 336 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
|---|
| 337 | UnhideWhenUsed="false" Name="Colorful List Accent 6"/> |
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| 338 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
|---|
| 339 | UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/> |
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| 342 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
|---|
| 343 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
|---|
| 344 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
|---|
| 345 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
|---|
| 346 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
|---|
| 347 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
|---|
| 348 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
|---|
| 349 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
|---|
| 350 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
|---|
| 351 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
|---|
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|---|
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| 357 | @font-face |
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| 358 | {font-family:"\FF2D\FF33 \660E\671D"; |
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| 359 | mso-font-charset:78; |
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| 360 | mso-generic-font-family:auto; |
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| 361 | mso-font-pitch:variable; |
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| 363 | @font-face |
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| 364 | {font-family:"\FF2D\FF33 \660E\671D"; |
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| 365 | mso-font-charset:78; |
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| 366 | mso-generic-font-family:auto; |
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| 367 | mso-font-pitch:variable; |
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| 369 | @font-face |
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| 370 | {font-family:Cambria; |
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| 371 | panose-1:2 4 5 3 5 4 6 3 2 4; |
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| 374 | mso-font-pitch:variable; |
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| 376 | @font-face |
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| 377 | {font-family:"Lucida Grande"; |
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| 378 | panose-1:2 11 6 0 4 5 2 2 2 4; |
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| 381 | mso-font-pitch:variable; |
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| 384 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
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| 385 | {mso-style-unhide:no; |
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| 386 | mso-style-qformat:yes; |
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| 397 | a:link, span.MsoHyperlink |
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| 399 | mso-style-priority:99; |
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| 408 | mso-themecolor:followedhyperlink; |
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| 410 | text-underline:single;} |
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| 411 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
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| 412 | {mso-style-noshow:yes; |
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| 413 | mso-style-priority:99; |
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| 414 | mso-style-link:"Balloon Text Char"; |
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| 415 | margin:0in; |
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| 422 | span.BalloonTextChar |
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| 423 | {mso-style-name:"Balloon Text Char"; |
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| 424 | mso-style-noshow:yes; |
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| 438 | mso-style-unhide:no; |
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| 439 | mso-style-parent:"";} |
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| 440 | span.SpellE |
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| 441 | {mso-style-name:""; |
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| 442 | mso-spl-e:yes;} |
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| 443 | span.GramE |
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| 444 | {mso-style-name:""; |
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| 445 | mso-gram-e:yes;} |
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| 446 | .MsoChpDefault |
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| 447 | {mso-style-type:export-only; |
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| 448 | mso-default-props:yes; |
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| 449 | font-family:Cambria; |
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| 450 | mso-ascii-font-family:Cambria; |
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| 451 | mso-fareast-font-family:"\FF2D\FF33 \660E\671D"; |
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| 452 | mso-hansi-font-family:Cambria;} |
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| 453 | @page WordSection1 |
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| 454 | {size:8.5in 11.0in; |
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| 455 | margin:1.0in 1.25in 1.0in 1.25in; |
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| 456 | mso-header-margin:.5in; |
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| 457 | mso-footer-margin:.5in; |
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| 458 | mso-paper-source:0;} |
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| 459 | div.WordSection1 |
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| 460 | {page:WordSection1;} |
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| 461 | --> |
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| 462 | </style> |
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| 463 | <!--[if gte mso 10]> |
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| 464 | <style> |
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| 465 | /* Style Definitions */ |
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| 466 | table.MsoNormalTable |
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| 467 | {mso-style-name:"Table Normal"; |
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| 468 | mso-tstyle-rowband-size:0; |
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| 469 | mso-tstyle-colband-size:0; |
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| 470 | mso-style-noshow:yes; |
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| 471 | mso-style-priority:99; |
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| 472 | mso-style-parent:""; |
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| 473 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
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| 474 | mso-para-margin:0in; |
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| 476 | mso-pagination:widow-orphan; |
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| 477 | font-size:10.0pt; |
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| 478 | font-family:Cambria;} |
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| 479 | </style> |
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| 480 | <![endif]--><!--[if gte mso 9]><xml> |
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| 481 | <o:shapedefaults v:ext="edit" spidmax="1026"/> |
|---|
| 482 | </xml><![endif]--><!--[if gte mso 9]><xml> |
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| 483 | <o:shapelayout v:ext="edit"> |
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| 484 | <o:idmap v:ext="edit" data="1"/> |
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| 485 | </o:shapelayout></xml><![endif]--> |
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| 486 | </head> |
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| 487 | |
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| 488 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
|---|
| 489 | |
|---|
| 490 | <div class=WordSection1> |
|---|
| 491 | |
|---|
| 492 | <p class=MsoNormal>Se<span style='mso-fareast-font-family:"Times New Roman"'>e <a |
|---|
| 493 | href="https://subversion.xor.aps.anl.gov/trac/EXPGUI/browser/tutorials/tutorial4"><span |
|---|
| 494 | class=icon><span style='color:blue'>https://subversion.xor.aps.anl.gov/trac/EXPGUI/browser/tutorials/tutorial4</span></span></a> |
|---|
| 495 | for files. Download and expand the FAP.zip file or download the four files that |
|---|
| 496 | are contained (FAP.GSA, <span class=SpellE>FAP.cif</span>, FapatitleExample.pdf, |
|---|
| 497 | INST_XRY.PRM) one at <span class=SpellE>at</span> time. To download, click on |
|---|
| 498 | the file and then use "Download in other formats:" Original Format to |
|---|
| 499 | start the download (at bottom of page) to do this.</span></p> |
|---|
| 500 | |
|---|
| 501 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 502 | |
|---|
| 503 | <p class=MsoNormal>Start EXPGUI</p> |
|---|
| 504 | |
|---|
| 505 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype |
|---|
| 506 | id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t" |
|---|
| 507 | path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f"> |
|---|
| 508 | <v:stroke joinstyle="miter"/> |
|---|
| 509 | <v:formulas> |
|---|
| 510 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
|---|
| 511 | <v:f eqn="sum @0 1 0"/> |
|---|
| 512 | <v:f eqn="sum 0 0 @1"/> |
|---|
| 513 | <v:f eqn="prod @2 1 2"/> |
|---|
| 514 | <v:f eqn="prod @3 21600 pixelWidth"/> |
|---|
| 515 | <v:f eqn="prod @3 21600 pixelHeight"/> |
|---|
| 516 | <v:f eqn="sum @0 0 1"/> |
|---|
| 517 | <v:f eqn="prod @6 1 2"/> |
|---|
| 518 | <v:f eqn="prod @7 21600 pixelWidth"/> |
|---|
| 519 | <v:f eqn="sum @8 21600 0"/> |
|---|
| 520 | <v:f eqn="prod @7 21600 pixelHeight"/> |
|---|
| 521 | <v:f eqn="sum @10 21600 0"/> |
|---|
| 522 | </v:formulas> |
|---|
| 523 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
|---|
| 524 | <o:lock v:ext="edit" aspectratio="t"/> |
|---|
| 525 | </v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1060" type="#_x0000_t75" |
|---|
| 526 | style='width:404pt;height:291pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 527 | <v:imagedata src="FapatitleExample_files/image001.png" o:title=""/> |
|---|
| 528 | </v:shape><![endif]--><![if !vml]><img border=0 width=406 height=293 |
|---|
| 529 | src="FapatitleExample_files/image002.png" v:shapes="Picture_x0020_1"><![endif]></span></p> |
|---|
| 530 | |
|---|
| 531 | <p class=MsoNormal>Enter a name for the experiment file (your choice).<span |
|---|
| 532 | style="mso-spacerun:yes"> </span>Press Read. Since this is a file we want |
|---|
| 533 | to create we get a warning box:</p> |
|---|
| 534 | |
|---|
| 535 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 536 | id="Picture_x0020_2" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:404pt; |
|---|
| 537 | height:122pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 538 | <v:imagedata src="FapatitleExample_files/image003.png" o:title=""/> |
|---|
| 539 | </v:shape><![endif]--><![if !vml]><img border=0 width=406 height=124 |
|---|
| 540 | src="FapatitleExample_files/image004.png" v:shapes="Picture_x0020_2"><![endif]></span></p> |
|---|
| 541 | |
|---|
| 542 | <p class=MsoNormal>Press Create and enter an arbitrary title (for your own |
|---|
| 543 | use):</p> |
|---|
| 544 | |
|---|
| 545 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 546 | id="Picture_x0020_3" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:402pt; |
|---|
| 547 | height:106pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 548 | <v:imagedata src="FapatitleExample_files/image005.png" o:title=""/> |
|---|
| 549 | </v:shape><![endif]--><![if !vml]><img border=0 width=404 height=108 |
|---|
| 550 | src="FapatitleExample_files/image006.png" v:shapes="Picture_x0020_3"><![endif]></span></p> |
|---|
| 551 | |
|---|
| 552 | <p class=MsoNormal>Press Continue. EXPGUI then opens and brings you to the |
|---|
| 553 | phase panel (this is a hint). Note that almost all other tabs are disabled |
|---|
| 554 | (also a hint).</p> |
|---|
| 555 | |
|---|
| 556 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 557 | id="Picture_x0020_4" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:445pt; |
|---|
| 558 | height:306pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 559 | <v:imagedata src="FapatitleExample_files/image007.png" o:title=""/> |
|---|
| 560 | </v:shape><![endif]--><![if !vml]><img border=0 width=447 height=308 |
|---|
| 561 | src="FapatitleExample_files/image008.png" v:shapes="Picture_x0020_4"><![endif]></span></p> |
|---|
| 562 | |
|---|
| 563 | <p class=MsoNormal>Press Add Phase to enter the structural information. Note |
|---|
| 564 | that we are going to read a cell and atoms in one step, but this can be done in |
|---|
| 565 | different steps. This information can be read from a file or be typed into |
|---|
| 566 | windows. </p> |
|---|
| 567 | |
|---|
| 568 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 569 | id="Picture_x0020_5" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:523pt; |
|---|
| 570 | height:155pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 571 | <v:imagedata src="FapatitleExample_files/image009.png" o:title=""/> |
|---|
| 572 | </v:shape><![endif]--><![if !vml]><img border=0 width=525 height=157 |
|---|
| 573 | src="FapatitleExample_files/image010.png" v:shapes="Picture_x0020_5"><![endif]></span></p> |
|---|
| 574 | |
|---|
| 575 | <p class=MsoNormal>Here we read from a CIF file by changing <span class=SpellE>PowderCell</span> |
|---|
| 576 | to CIF. This brings up a window where we can select the CIF file (note this |
|---|
| 577 | window will appear different depending on the operating system):</p> |
|---|
| 578 | |
|---|
| 579 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 580 | id="Picture_x0020_6" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:474pt; |
|---|
| 581 | height:240pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 582 | <v:imagedata src="FapatitleExample_files/image011.png" o:title=""/> |
|---|
| 583 | </v:shape><![endif]--><![if !vml]><img border=0 width=476 height=242 |
|---|
| 584 | src="FapatitleExample_files/image012.png" v:shapes="Picture_x0020_6"><![endif]></span></p> |
|---|
| 585 | |
|---|
| 586 | <p class=MsoNormal>Press Open. Lattice/space group information is loaded into |
|---|
| 587 | the window for us:</p> |
|---|
| 588 | |
|---|
| 589 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 590 | id="Picture_x0020_7" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:493pt; |
|---|
| 591 | height:139pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 592 | <v:imagedata src="FapatitleExample_files/image013.png" o:title=""/> |
|---|
| 593 | </v:shape><![endif]--><![if !vml]><img border=0 width=495 height=141 |
|---|
| 594 | src="FapatitleExample_files/image014.png" v:shapes="Picture_x0020_7"><![endif]></span></p> |
|---|
| 595 | |
|---|
| 596 | <p class=MsoNormal>Look this information <span class=GramE>over,</span> it is |
|---|
| 597 | not always correct – particularly the space group (at least one space is |
|---|
| 598 | needed here between the P and the 6, for example). Here all is OK so, press |
|---|
| 599 | Continue. EXPGUI shows the generated symmetry operations:</p> |
|---|
| 600 | |
|---|
| 601 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 602 | id="Picture_x0020_8" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:394pt; |
|---|
| 603 | height:278pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 604 | <v:imagedata src="FapatitleExample_files/image015.png" o:title=""/> |
|---|
| 605 | </v:shape><![endif]--><![if !vml]><img border=0 width=396 height=280 |
|---|
| 606 | src="FapatitleExample_files/image016.png" v:shapes="Picture_x0020_8"><![endif]></span></p> |
|---|
| 607 | |
|---|
| 608 | <p class=MsoNormal>It is a good idea to check these against the International |
|---|
| 609 | Tables Volume A. These are what <span class=GramE>was</span> wanted, so we |
|---|
| 610 | press Continue. Next we see the atoms:</p> |
|---|
| 611 | |
|---|
| 612 | <p class=MsoNormal><span style="mso-spacerun:yes"> </span><span |
|---|
| 613 | style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 614 | id="Picture_x0020_9" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:374pt; |
|---|
| 615 | height:225pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 616 | <v:imagedata src="FapatitleExample_files/image017.png" o:title=""/> |
|---|
| 617 | </v:shape><![endif]--><![if !vml]><img border=0 width=376 height=227 |
|---|
| 618 | src="FapatitleExample_files/image018.png" v:shapes="Picture_x0020_9"><![endif]></span></p> |
|---|
| 619 | |
|---|
| 620 | <p class=MsoNormal>Note that these <span class=SpellE>Uiso</span> values are very |
|---|
| 621 | large! This CIF must have them wrong. We can change them now, but we will deal |
|---|
| 622 | with this later. Otherwise the input is OK, so press Add Atoms to continue. Now |
|---|
| 623 | the Phase panel has been filled out with our first (and in this case, only) |
|---|
| 624 | phase. Note we can now access the Powder panel. So lets do that. Now we will |
|---|
| 625 | add data (a histogram in GSAS jargon).</p> |
|---|
| 626 | |
|---|
| 627 | <p class=MsoNormal><span style="mso-spacerun:yes"> </span><span |
|---|
| 628 | style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 629 | id="Picture_x0020_10" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:419pt; |
|---|
| 630 | height:289pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 631 | <v:imagedata src="FapatitleExample_files/image019.png" o:title=""/> |
|---|
| 632 | </v:shape><![endif]--><![if !vml]><img border=0 width=421 height=291 |
|---|
| 633 | src="FapatitleExample_files/image020.png" v:shapes="Picture_x0020_10"><![endif]></span></p> |
|---|
| 634 | |
|---|
| 635 | <p class=MsoNormal>Press Add New Histogram (at bottom). Here we will enter the |
|---|
| 636 | data file name by pressing the upper Select File button</p> |
|---|
| 637 | |
|---|
| 638 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 639 | id="Picture_x0020_11" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:464pt; |
|---|
| 640 | height:273pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 641 | <v:imagedata src="FapatitleExample_files/image021.png" o:title=""/> |
|---|
| 642 | </v:shape><![endif]--><![if !vml]><img border=0 width=466 height=275 |
|---|
| 643 | src="FapatitleExample_files/image022.png" v:shapes="Picture_x0020_11"><![endif]></span></p> |
|---|
| 644 | |
|---|
| 645 | <p class=MsoNormal>Select the FAP.GSA data file:</p> |
|---|
| 646 | |
|---|
| 647 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 648 | id="Picture_x0020_12" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:435pt; |
|---|
| 649 | height:238pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 650 | <v:imagedata src="FapatitleExample_files/image023.png" o:title=""/> |
|---|
| 651 | </v:shape><![endif]--><![if !vml]><img border=0 width=437 height=240 |
|---|
| 652 | src="FapatitleExample_files/image024.png" v:shapes="Picture_x0020_12"><![endif]></span></p> |
|---|
| 653 | |
|---|
| 654 | <p class=MsoNormal>Then press Open. We now need an instrument parameter file to |
|---|
| 655 | specify the data type, provide default peak widths etc. We will use a |
|---|
| 656 | GSAS-distributed file for this. Press the lower Select file button and select |
|---|
| 657 | file INST_XRY.PRM</p> |
|---|
| 658 | |
|---|
| 659 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 660 | id="Picture_x0020_13" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:425pt; |
|---|
| 661 | height:257pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 662 | <v:imagedata src="FapatitleExample_files/image025.png" o:title=""/> |
|---|
| 663 | </v:shape><![endif]--><![if !vml]><img border=0 width=427 height=259 |
|---|
| 664 | src="FapatitleExample_files/image026.png" v:shapes="Picture_x0020_13"><![endif]></span></p> |
|---|
| 665 | |
|---|
| 666 | <p class=MsoNormal><span class=GramE>The press Open.</span> You may get a warning |
|---|
| 667 | that you can ignore (just press OK):</p> |
|---|
| 668 | |
|---|
| 669 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 670 | id="Picture_x0020_14" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:441pt; |
|---|
| 671 | height:149pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 672 | <v:imagedata src="FapatitleExample_files/image027.png" o:title=""/> |
|---|
| 673 | </v:shape><![endif]--><![if !vml]><img border=0 width=443 height=151 |
|---|
| 674 | src="FapatitleExample_files/image028.png" v:shapes="Picture_x0020_14"><![endif]></span></p> |
|---|
| 675 | |
|---|
| 676 | <p class=MsoNormal>The powder histogram information is now ready to be added to |
|---|
| 677 | the experiment, but before we do that we might want to change the data limit to |
|---|
| 678 | use less data. One can use RAWPLOT to look at the data, but here lets use all |
|---|
| 679 | the data (to 130 degrees). </p> |
|---|
| 680 | |
|---|
| 681 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 682 | id="Picture_x0020_15" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:435pt; |
|---|
| 683 | height:264pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 684 | <v:imagedata src="FapatitleExample_files/image029.png" o:title=""/> |
|---|
| 685 | </v:shape><![endif]--><![if !vml]><img border=0 width=437 height=266 |
|---|
| 686 | src="FapatitleExample_files/image030.png" v:shapes="Picture_x0020_15"><![endif]></span></p> |
|---|
| 687 | |
|---|
| 688 | <p class=MsoNormal>Press Add to add the data.<span |
|---|
| 689 | style="mso-spacerun:yes"> </span>We see this in the Histogram panel:</p> |
|---|
| 690 | |
|---|
| 691 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 692 | id="Picture_x0020_16" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:610pt; |
|---|
| 693 | height:427pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 694 | <v:imagedata src="FapatitleExample_files/image031.png" o:title=""/> |
|---|
| 695 | </v:shape><![endif]--><![if !vml]><img border=0 width=612 height=429 |
|---|
| 696 | src="FapatitleExample_files/image032.png" v:shapes="Picture_x0020_16"><![endif]></span></p> |
|---|
| 697 | |
|---|
| 698 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 699 | |
|---|
| 700 | <p class=MsoNormal>Before we do any refinement, we should see what the pattern |
|---|
| 701 | looks like. On the controls panel set the number of cycles to zero:</p> |
|---|
| 702 | |
|---|
| 703 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 704 | id="Picture_x0020_17" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:623pt; |
|---|
| 705 | height:434pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 706 | <v:imagedata src="FapatitleExample_files/image033.png" o:title=""/> |
|---|
| 707 | </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=436 |
|---|
| 708 | src="FapatitleExample_files/image034.png" v:shapes="Picture_x0020_17"><![endif]></span></p> |
|---|
| 709 | |
|---|
| 710 | <p class=MsoNormal>To start running press the <span class=SpellE>powpref</span> |
|---|
| 711 | button</p> |
|---|
| 712 | |
|---|
| 713 | <p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 714 | id="Picture_x0020_18" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:483pt; |
|---|
| 715 | height:335pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 716 | <v:imagedata src="FapatitleExample_files/image035.png" o:title=""/> |
|---|
| 717 | </v:shape><![endif]--><![if !vml]><img border=0 width=485 height=337 |
|---|
| 718 | src="FapatitleExample_files/image036.png" v:shapes="Picture_x0020_18"><![endif]></span></p> |
|---|
| 719 | |
|---|
| 720 | <p class=MsoNormal><span class=GramE>Press Enter in the window to continue.</span> |
|---|
| 721 | The <span class=GramE>EXP file has been changed by the POWPREF program</span>, |
|---|
| 722 | so we press Load New </p> |
|---|
| 723 | |
|---|
| 724 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1216" type="#_x0000_t75" |
|---|
| 725 | style='width:364pt;height:203pt'> |
|---|
| 726 | <v:imagedata src="FapatitleExample_files/image037.png" o:title=""/> |
|---|
| 727 | </v:shape><![endif]--><![if !vml]><img border=0 width=366 height=205 |
|---|
| 728 | src="FapatitleExample_files/image038.png" v:shapes="_x0000_i1216"><![endif]></p> |
|---|
| 729 | |
|---|
| 730 | <p class=MsoNormal>Then press the <span class=SpellE>genles</span> button to |
|---|
| 731 | start that program. With 0 cycles, it will compute the powder intensities, but |
|---|
| 732 | not refine any parameters. </p> |
|---|
| 733 | |
|---|
| 734 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1067" type="#_x0000_t75" |
|---|
| 735 | style='width:540pt;height:377pt'> |
|---|
| 736 | <v:imagedata src="FapatitleExample_files/image039.png" o:title=""/> |
|---|
| 737 | </v:shape><![endif]--><![if !vml]><img border=0 width=542 height=379 |
|---|
| 738 | src="FapatitleExample_files/image040.png" v:shapes="_x0000_i1067"><![endif]></p> |
|---|
| 739 | |
|---|
| 740 | <p class=MsoNormal>As before press Enter and then Load New in the next window. |
|---|
| 741 | Now press the <span class=SpellE>liveplot</span> button to see a plot. We see |
|---|
| 742 | the plotted data, but no computed intensity. </p> |
|---|
| 743 | |
|---|
| 744 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1073" type="#_x0000_t75" |
|---|
| 745 | style='width:469pt;height:471pt'> |
|---|
| 746 | <v:imagedata src="FapatitleExample_files/image041.png" o:title=""/> |
|---|
| 747 | </v:shape><![endif]--><![if !vml]><img border=0 width=471 height=473 |
|---|
| 748 | src="FapatitleExample_files/image042.png" v:shapes="_x0000_i1073"><![endif]></p> |
|---|
| 749 | |
|---|
| 750 | <p class=MsoNormal>If we zoom in enough (drag a box with the left mouse button |
|---|
| 751 | to zoom in; click with the right to zoom out), we see that there are computed |
|---|
| 752 | intensities but they are computed with perhaps 50 counts, while the raw data |
|---|
| 753 | have 20,000 counts.</p> |
|---|
| 754 | |
|---|
| 755 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1076" type="#_x0000_t75" |
|---|
| 756 | style='width:535pt;height:537pt'> |
|---|
| 757 | <v:imagedata src="FapatitleExample_files/image043.png" o:title=""/> |
|---|
| 758 | </v:shape><![endif]--><![if !vml]><img border=0 width=537 height=539 |
|---|
| 759 | src="FapatitleExample_files/image044.png" v:shapes="_x0000_i1076"><![endif]></p> |
|---|
| 760 | |
|---|
| 761 | <p class=MsoNormal>While we could refine the scale factor, lets instead |
|---|
| 762 | multiply the scale factor by 20,000/50 (400) using the scaling panel:</p> |
|---|
| 763 | |
|---|
| 764 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1079" type="#_x0000_t75" |
|---|
| 765 | style='width:535pt;height:405pt'> |
|---|
| 766 | <v:imagedata src="FapatitleExample_files/image045.png" o:title=""/> |
|---|
| 767 | </v:shape><![endif]--><![if !vml]><img border=0 width=537 height=407 |
|---|
| 768 | src="FapatitleExample_files/image046.png" v:shapes="_x0000_i1079"><![endif]></p> |
|---|
| 769 | |
|---|
| 770 | <p class=MsoNormal>Then press <span class=SpellE>Genles</span>, press Enter and |
|---|
| 771 | Load New as before. <span class=SpellE>Liveplot</span> updates to show us the |
|---|
| 772 | new plot automatically:</p> |
|---|
| 773 | |
|---|
| 774 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1083" type="#_x0000_t75" |
|---|
| 775 | style='width:496pt;height:500pt'> |
|---|
| 776 | <v:imagedata src="FapatitleExample_files/image047.png" o:title=""/> |
|---|
| 777 | </v:shape><![endif]--><![if !vml]><img border=0 width=498 height=502 |
|---|
| 778 | src="FapatitleExample_files/image048.png" v:shapes="_x0000_i1083"><![endif]></p> |
|---|
| 779 | |
|---|
| 780 | <p class=MsoNormal>Or when we zoom out:</p> |
|---|
| 781 | |
|---|
| 782 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1086" type="#_x0000_t75" |
|---|
| 783 | style='width:527pt;height:529pt'> |
|---|
| 784 | <v:imagedata src="FapatitleExample_files/image049.png" o:title=""/> |
|---|
| 785 | </v:shape><![endif]--><![if !vml]><img border=0 width=529 height=531 |
|---|
| 786 | src="FapatitleExample_files/image050.png" v:shapes="_x0000_i1086"><![endif]></p> |
|---|
| 787 | |
|---|
| 788 | <p class=MsoNormal>Note that peaks are more or less lining up. The intensity |
|---|
| 789 | falls off way too fast (this is due to the <span class=SpellE>Uiso</span> |
|---|
| 790 | values being too high. Lets change them. On the phase panel drag the mouse over |
|---|
| 791 | all atoms:</p> |
|---|
| 792 | |
|---|
| 793 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1095" type="#_x0000_t75" |
|---|
| 794 | style='width:585pt;height:444pt'> |
|---|
| 795 | <v:imagedata src="FapatitleExample_files/image051.png" o:title=""/> |
|---|
| 796 | </v:shape><![endif]--><![if !vml]><img border=0 width=587 height=446 |
|---|
| 797 | src="FapatitleExample_files/image052.png" v:shapes="_x0000_i1095"><![endif]></p> |
|---|
| 798 | |
|---|
| 799 | <p class=MsoNormal>Press Modify Atoms. Change the <span class=SpellE>Uiso</span> |
|---|
| 800 | value in the new window to 0.01</p> |
|---|
| 801 | |
|---|
| 802 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1103" type="#_x0000_t75" |
|---|
| 803 | style='width:399pt;height:593pt'> |
|---|
| 804 | <v:imagedata src="FapatitleExample_files/image053.png" o:title=""/> |
|---|
| 805 | </v:shape><![endif]--><![if !vml]><img border=0 width=401 height=595 |
|---|
| 806 | src="FapatitleExample_files/image054.png" v:shapes="_x0000_i1103"><![endif]></p> |
|---|
| 807 | |
|---|
| 808 | <p class=MsoNormal>Press Set U and then <span class=GramE>Close</span>. Note |
|---|
| 809 | the <span class=SpellE>Uiso</span> values are now changed on the phase panel:</p> |
|---|
| 810 | |
|---|
| 811 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1111" type="#_x0000_t75" |
|---|
| 812 | style='width:600pt;height:453pt'> |
|---|
| 813 | <v:imagedata src="FapatitleExample_files/image055.png" o:title=""/> |
|---|
| 814 | </v:shape><![endif]--><![if !vml]><img border=0 width=602 height=455 |
|---|
| 815 | src="FapatitleExample_files/image056.png" v:shapes="_x0000_i1111"><![endif]></p> |
|---|
| 816 | |
|---|
| 817 | <p class=MsoNormal><span class=SpellE>Recompute</span> with <span class=SpellE>Genles</span>, |
|---|
| 818 | as before. <span class=SpellE>Liveplot</span> now shows much better |
|---|
| 819 | intensities, though now our scale factor is probably too big. </p> |
|---|
| 820 | |
|---|
| 821 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1113" type="#_x0000_t75" |
|---|
| 822 | style='width:434pt;height:435pt'> |
|---|
| 823 | <v:imagedata src="FapatitleExample_files/image057.png" o:title=""/> |
|---|
| 824 | </v:shape><![endif]--><![if !vml]><img border=0 width=436 height=437 |
|---|
| 825 | src="FapatitleExample_files/image058.png" v:shapes="_x0000_i1113"><![endif]></p> |
|---|
| 826 | |
|---|
| 827 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 828 | |
|---|
| 829 | <p class=MsoNormal>Lets start refining the model to better fit the data. Change |
|---|
| 830 | the number of cycles to 3</p> |
|---|
| 831 | |
|---|
| 832 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1117" type="#_x0000_t75" |
|---|
| 833 | style='width:464pt;height:351pt'> |
|---|
| 834 | <v:imagedata src="FapatitleExample_files/image059.png" o:title=""/> |
|---|
| 835 | </v:shape><![endif]--><![if !vml]><img border=0 width=466 height=353 |
|---|
| 836 | src="FapatitleExample_files/image060.png" v:shapes="_x0000_i1117"><![endif]></p> |
|---|
| 837 | |
|---|
| 838 | <p class=MsoNormal>Use the refine cell option on the phase panel</p> |
|---|
| 839 | |
|---|
| 840 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1127" type="#_x0000_t75" |
|---|
| 841 | style='width:517pt;height:391pt'> |
|---|
| 842 | <v:imagedata src="FapatitleExample_files/image061.png" o:title=""/> |
|---|
| 843 | </v:shape><![endif]--><![if !vml]><img border=0 width=519 height=393 |
|---|
| 844 | src="FapatitleExample_files/image062.png" v:shapes="_x0000_i1127"><![endif]></p> |
|---|
| 845 | |
|---|
| 846 | <p class=MsoNormal>Change the background to type 1 with six parameters. Select |
|---|
| 847 | the Powder Panel, use Edit Background. One the edit cell window select function |
|---|
| 848 | type 1, and number of terms 6. </p> |
|---|
| 849 | |
|---|
| 850 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1130" type="#_x0000_t75" |
|---|
| 851 | style='width:507pt;height:175pt'> |
|---|
| 852 | <v:imagedata src="FapatitleExample_files/image063.png" o:title=""/> |
|---|
| 853 | </v:shape><![endif]--><![if !vml]><img border=0 width=509 height=177 |
|---|
| 854 | src="FapatitleExample_files/image064.png" v:shapes="_x0000_i1130"><![endif]></p> |
|---|
| 855 | |
|---|
| 856 | <p class=MsoNormal><span class=GramE>The press Continue.</span> Confirm that |
|---|
| 857 | Refine background is checked. </p> |
|---|
| 858 | |
|---|
| 859 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1133" type="#_x0000_t75" |
|---|
| 860 | style='width:535pt;height:405pt'> |
|---|
| 861 | <v:imagedata src="FapatitleExample_files/image065.png" o:title=""/> |
|---|
| 862 | </v:shape><![endif]--><![if !vml]><img border=0 width=537 height=407 |
|---|
| 863 | src="FapatitleExample_files/image066.png" v:shapes="_x0000_i1133"><![endif]></p> |
|---|
| 864 | |
|---|
| 865 | <p class=MsoNormal>Now lets refine by pressing the <span class=SpellE>genles</span> |
|---|
| 866 | button.</p> |
|---|
| 867 | |
|---|
| 868 | <p class=MsoNormal>The GENLES output shows the <b style='mso-bidi-font-weight: |
|---|
| 869 | normal'><span style='font-family:"Lucida Grande";color:black'>χ</span></b><sup><span |
|---|
| 870 | style='mso-bidi-font-size:12.0pt'>2</span></sup> dropping from 6813 to 74<sup><span |
|---|
| 871 | style='mso-bidi-font-size:12.0pt'><o:p></o:p></span></sup></p> |
|---|
| 872 | |
|---|
| 873 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1138" type="#_x0000_t75" |
|---|
| 874 | style='width:502pt;height:349pt'> |
|---|
| 875 | <v:imagedata src="FapatitleExample_files/image067.png" o:title=""/> |
|---|
| 876 | </v:shape><![endif]--><![if !vml]><img border=0 width=504 height=351 |
|---|
| 877 | src="FapatitleExample_files/image068.png" v:shapes="_x0000_i1138"><![endif]><!--[if gte vml 1]><v:shape |
|---|
| 878 | id="_x0000_i1141" type="#_x0000_t75" style='width:513pt;height:357pt'> |
|---|
| 879 | <v:imagedata src="FapatitleExample_files/image069.png" o:title=""/> |
|---|
| 880 | </v:shape><![endif]--><![if !vml]><img border=0 width=515 height=359 |
|---|
| 881 | src="FapatitleExample_files/image070.png" v:shapes="_x0000_i1141"><![endif]></p> |
|---|
| 882 | |
|---|
| 883 | <p class=MsoNormal><span class=SpellE>Liveplot</span> will also show the fit |
|---|
| 884 | looks better. </p> |
|---|
| 885 | |
|---|
| 886 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1149" type="#_x0000_t75" |
|---|
| 887 | style='width:591pt;height:593pt'> |
|---|
| 888 | <v:imagedata src="FapatitleExample_files/image071.png" o:title=""/> |
|---|
| 889 | </v:shape><![endif]--><![if !vml]><img border=0 width=593 height=595 |
|---|
| 890 | src="FapatitleExample_files/image072.png" v:shapes="_x0000_i1149"><![endif]></p> |
|---|
| 891 | |
|---|
| 892 | <p class=MsoNormal>Run <span class=SpellE>powpref</span> and <span |
|---|
| 893 | class=SpellE>genles</span> again (because the cell dimensions changed a fair |
|---|
| 894 | amount). <b style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande"; |
|---|
| 895 | color:black'>χ</span></b><sup><span style='mso-bidi-font-size:12.0pt'>2</span></sup> |
|---|
| 896 | drops to 61.</p> |
|---|
| 897 | |
|---|
| 898 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 899 | |
|---|
| 900 | <p class=MsoNormal>Zooming in on the pattern in <span class=SpellE>liveplot</span> |
|---|
| 901 | shows the match to the intensities <span class=GramE>are</span> not bad. The |
|---|
| 902 | peak shape is a bit narrow, but not bad. </p> |
|---|
| 903 | |
|---|
| 904 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1156" type="#_x0000_t75" |
|---|
| 905 | style='width:463pt;height:464pt'> |
|---|
| 906 | <v:imagedata src="FapatitleExample_files/image073.png" o:title=""/> |
|---|
| 907 | </v:shape><![endif]--><![if !vml]><img border=0 width=465 height=466 |
|---|
| 908 | src="FapatitleExample_files/image074.png" v:shapes="_x0000_i1156"><![endif]></p> |
|---|
| 909 | |
|---|
| 910 | <p class=MsoNormal>Select to refine the atom positions (as allowed by symmetry) |
|---|
| 911 | and <span class=SpellE>Uiso</span> values by selecting all atoms and click on X |
|---|
| 912 | and F below the atoms:</p> |
|---|
| 913 | |
|---|
| 914 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1159" type="#_x0000_t75" |
|---|
| 915 | style='width:547pt;height:414pt'> |
|---|
| 916 | <v:imagedata src="FapatitleExample_files/image075.png" o:title=""/> |
|---|
| 917 | </v:shape><![endif]--><![if !vml]><img border=0 width=549 height=416 |
|---|
| 918 | src="FapatitleExample_files/image076.png" v:shapes="_x0000_i1159"><![endif]></p> |
|---|
| 919 | |
|---|
| 920 | <p class=MsoNormal>Press <span class=SpellE>genles</span> to refine. The |
|---|
| 921 | agreement improves a bit. If this structure were a bit more complex, we might |
|---|
| 922 | have initially grouped some <span class=SpellE>Uiso</span> values or only vary |
|---|
| 923 | some of the heavy atoms. </p> |
|---|
| 924 | |
|---|
| 925 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 926 | |
|---|
| 927 | <p class=MsoNormal>Now lets improve the peak shapes. The initial profile is not |
|---|
| 928 | fitting the tails of the pattern well (see the <span class=SpellE>liveplot</span> |
|---|
| 929 | example above), so letÕs refine the two <span class=SpellE>Lorentian</span> |
|---|
| 930 | terms LX and LY – but one at a time. <!--[if gte vml 1]><v:shape id="_x0000_i1162" |
|---|
| 931 | type="#_x0000_t75" style='width:581pt;height:202pt'> |
|---|
| 932 | <v:imagedata src="FapatitleExample_files/image077.png" o:title=""/> |
|---|
| 933 | </v:shape><![endif]--><![if !vml]><img border=0 width=583 height=204 |
|---|
| 934 | src="FapatitleExample_files/image078.png" v:shapes="_x0000_i1162"><![endif]></p> |
|---|
| 935 | |
|---|
| 936 | <p class=MsoNormal>Click on LX and then <span class=SpellE>genles</span>. <b |
|---|
| 937 | style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande"; |
|---|
| 938 | color:black'>χ</span></b><sup><span style='mso-bidi-font-size:12.0pt'>2</span></sup> |
|---|
| 939 | drops to 29.</p> |
|---|
| 940 | |
|---|
| 941 | <p class=MsoNormal>Try the same with LY turning LX off</p> |
|---|
| 942 | |
|---|
| 943 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1163" type="#_x0000_t75" |
|---|
| 944 | style='width:464pt;height:212pt'> |
|---|
| 945 | <v:imagedata src="FapatitleExample_files/image079.png" o:title=""/> |
|---|
| 946 | </v:shape><![endif]--><![if !vml]><img border=0 width=466 height=214 |
|---|
| 947 | src="FapatitleExample_files/image080.png" v:shapes="_x0000_i1163"><![endif]></p> |
|---|
| 948 | |
|---|
| 949 | <p class=MsoNormal>Run <span class=SpellE>genles</span>, <b style='mso-bidi-font-weight: |
|---|
| 950 | normal'><span style='font-family:"Lucida Grande";color:black'>χ</span></b><sup><span |
|---|
| 951 | style='mso-bidi-font-size:12.0pt'>2</span></sup> barely drops, so we do not |
|---|
| 952 | need this. We could reject the change by pressing Continue with Old. Lets try |
|---|
| 953 | the Gaussian U<span class=GramE>,V,W</span> terms without LX or LY:</p> |
|---|
| 954 | |
|---|
| 955 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1168" type="#_x0000_t75" |
|---|
| 956 | style='width:483pt;height:175pt'> |
|---|
| 957 | <v:imagedata src="FapatitleExample_files/image081.png" o:title=""/> |
|---|
| 958 | </v:shape><![endif]--><![if !vml]><img border=0 width=485 height=177 |
|---|
| 959 | src="FapatitleExample_files/image082.png" v:shapes="_x0000_i1168"><![endif]></p> |
|---|
| 960 | |
|---|
| 961 | <p class=MsoNormal>Run <span class=SpellE>genles</span>, <b style='mso-bidi-font-weight: |
|---|
| 962 | normal'><span style='font-family:"Lucida Grande";color:black'>χ</span></b><sup><span |
|---|
| 963 | style='mso-bidi-font-size:12.0pt'>2</span></sup> barely drops just a bit, to |
|---|
| 964 | 26. Now we can try LX with those terms</p> |
|---|
| 965 | |
|---|
| 966 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1173" type="#_x0000_t75" |
|---|
| 967 | style='width:473pt;height:172pt'> |
|---|
| 968 | <v:imagedata src="FapatitleExample_files/image083.png" o:title=""/> |
|---|
| 969 | </v:shape><![endif]--><![if !vml]><img border=0 width=475 height=174 |
|---|
| 970 | src="FapatitleExample_files/image084.png" v:shapes="_x0000_i1173"><![endif]></p> |
|---|
| 971 | |
|---|
| 972 | <p class=MsoNormal><span class=GramE>since</span> the peak shape has been |
|---|
| 973 | changed a fair amount, lets run <span class=SpellE>powpref</span> and then <span |
|---|
| 974 | class=SpellE>genles</span>. <b style='mso-bidi-font-weight:normal'><span |
|---|
| 975 | style='font-family:"Lucida Grande";color:black'>χ</span></b><sup><span |
|---|
| 976 | style='mso-bidi-font-size:12.0pt'>2</span></sup> drops quite a bit, to 17. It |
|---|
| 977 | is a good idea to run <span class=SpellE>powpref</span> and <span class=SpellE>genles</span> |
|---|
| 978 | again, but not much changes. </p> |
|---|
| 979 | |
|---|
| 980 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 981 | |
|---|
| 982 | <p class=MsoNormal>Since this is Bragg-Brentano (lab) data, lets correct for |
|---|
| 983 | sample shift and transparency (since the sample is not that absorbing).<span |
|---|
| 984 | style="mso-spacerun:yes"> </span>Turn on <span class=SpellE>shft</span> |
|---|
| 985 | and <span class=SpellE>trns</span>:</p> |
|---|
| 986 | |
|---|
| 987 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1253" type="#_x0000_t75" |
|---|
| 988 | style='width:464pt;height:214pt'> |
|---|
| 989 | <v:imagedata src="FapatitleExample_files/image085.png" o:title=""/> |
|---|
| 990 | </v:shape><![endif]--><![if !vml]><img border=0 width=466 height=216 |
|---|
| 991 | src="FapatitleExample_files/image086.png" v:shapes="_x0000_i1253"><![endif]></p> |
|---|
| 992 | |
|---|
| 993 | <p class=MsoNormal><span class=GramE>lets</span> run <span class=SpellE>genles</span>. |
|---|
| 994 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande"; |
|---|
| 995 | color:black'>χ</span></b><sup><span style='mso-bidi-font-size:12.0pt'>2</span></sup> |
|---|
| 996 | drops quite a bit, to 5. Again since peaks have moved, lets run <span |
|---|
| 997 | class=SpellE>powpref</span> and then <span class=SpellE>genles</span> again. <span |
|---|
| 998 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 999 | "Lucida Grande";color:black'>χ</span></b><sup><span style='mso-bidi-font-size: |
|---|
| 1000 | 12.0pt'>2</span></sup> even more, to 3.2.</span> Doing that again causes no |
|---|
| 1001 | improvement. </p> |
|---|
| 1002 | |
|---|
| 1003 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1004 | |
|---|
| 1005 | <p class=MsoNormal>There are probably a few more things we should try in this |
|---|
| 1006 | fit, but it is mostly complete. </p> |
|---|
| 1007 | |
|---|
| 1008 | </div> |
|---|
| 1009 | |
|---|
| 1010 | </body> |
|---|
| 1011 | |
|---|
| 1012 | </html> |
|---|
