| 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="http://www.w3.org/TR/REC-html40"> |
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| 6 | |
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| 7 | <head> |
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| 8 | <meta http-equiv=Content-Type content="text/html; charset=windows-1252"> |
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| 9 | <meta name=ProgId content=Word.Document> |
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| 10 | <meta name=Generator content="Microsoft Word 15"> |
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| 11 | <meta name=Originator content="Microsoft Word 15"> |
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| 12 | <link rel=File-List href="CFSingleCrystal_files/filelist.xml"> |
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| 13 | <link rel=Edit-Time-Data href="CFSingleCrystal_files/editdata.mso"> |
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| 14 | <!--[if !mso]> |
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| 15 | <style> |
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| 16 | v\:* {behavior:url(#default#VML);} |
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| 17 | o\:* {behavior:url(#default#VML);} |
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| 18 | w\:* {behavior:url(#default#VML);} |
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| 19 | .shape {behavior:url(#default#VML);} |
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| 20 | </style> |
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| 21 | <![endif]--> |
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| 22 | <link rel=themeData href="CFSingleCrystal_files/themedata.thmx"> |
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| 23 | <link rel=colorSchemeMapping href="CFSingleCrystal_files/colorschememapping.xml"> |
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| 24 | <!--[if gte mso 9]><xml> |
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| 25 | <w:WordDocument> |
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| 26 | <w:SpellingState>Clean</w:SpellingState> |
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| 27 | <w:GrammarState>Clean</w:GrammarState> |
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| 28 | <w:TrackMoves>false</w:TrackMoves> |
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| 29 | <w:TrackFormatting/> |
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| 30 | <w:ValidateAgainstSchemas/> |
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| 31 | <w:SaveIfXMLInvalid>false</w:SaveIfXMLInvalid> |
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| 32 | <w:IgnoreMixedContent>false</w:IgnoreMixedContent> |
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| 33 | <w:AlwaysShowPlaceholderText>false</w:AlwaysShowPlaceholderText> |
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| 34 | <w:DoNotPromoteQF/> |
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| 35 | <w:LidThemeOther>EN-US</w:LidThemeOther> |
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| 36 | <w:LidThemeAsian>X-NONE</w:LidThemeAsian> |
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| 37 | <w:LidThemeComplexScript>X-NONE</w:LidThemeComplexScript> |
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| 38 | <w:Compatibility> |
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| 39 | <w:BreakWrappedTables/> |
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| 40 | <w:SplitPgBreakAndParaMark/> |
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| 41 | </w:Compatibility> |
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| 42 | <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel> |
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| 43 | <m:mathPr> |
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| 44 | <m:mathFont m:val="Cambria Math"/> |
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| 45 | <m:brkBin m:val="before"/> |
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| 46 | <m:brkBinSub m:val="--"/> |
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| 47 | <m:smallFrac m:val="off"/> |
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| 48 | <m:dispDef/> |
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| 49 | <m:lMargin m:val="0"/> |
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| 50 | <m:rMargin m:val="0"/> |
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| 51 | <m:defJc m:val="centerGroup"/> |
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| 52 | <m:wrapIndent m:val="1440"/> |
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| 53 | <m:intLim m:val="subSup"/> |
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| 54 | <m:naryLim m:val="undOvr"/> |
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| 55 | </m:mathPr></w:WordDocument> |
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| 56 | </xml><![endif]--><!--[if gte mso 9]><xml> |
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| 57 | <w:LatentStyles DefLockedState="false" DefUnhideWhenUsed="false" |
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| 58 | DefSemiHidden="false" DefQFormat="false" DefPriority="99" |
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| 59 | LatentStyleCount="371"> |
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| 60 | <w:LsdException Locked="false" Priority="0" QFormat="true" Name="Normal"/> |
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| 61 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 1"/> |
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| 62 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 2"/> |
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| 63 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 3"/> |
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| 64 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 4"/> |
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| 65 | <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 5"/> |
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| 66 | <w:LsdException Locked="false" Priority="9" SemiHidden="true" |
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| 67 | UnhideWhenUsed="true" QFormat="true" Name="heading 6"/> |
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| 68 | <w:LsdException Locked="false" Priority="9" SemiHidden="true" |
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| 69 | UnhideWhenUsed="true" QFormat="true" Name="heading 7"/> |
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| 70 | <w:LsdException Locked="false" Priority="9" SemiHidden="true" |
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| 71 | UnhideWhenUsed="true" QFormat="true" Name="heading 8"/> |
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| 72 | <w:LsdException Locked="false" Priority="9" SemiHidden="true" |
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| 73 | UnhideWhenUsed="true" QFormat="true" Name="heading 9"/> |
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| 74 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 75 | Name="index 1"/> |
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| 76 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 77 | Name="index 2"/> |
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| 78 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 79 | Name="index 3"/> |
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| 80 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 81 | Name="index 4"/> |
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| 82 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 83 | Name="index 5"/> |
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| 84 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 85 | Name="index 6"/> |
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| 86 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 87 | Name="index 7"/> |
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| 88 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 89 | Name="index 8"/> |
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| 90 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 91 | Name="index 9"/> |
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| 92 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 93 | UnhideWhenUsed="true" Name="toc 1"/> |
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| 94 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 95 | UnhideWhenUsed="true" Name="toc 2"/> |
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| 96 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 97 | UnhideWhenUsed="true" Name="toc 3"/> |
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| 98 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 99 | UnhideWhenUsed="true" Name="toc 4"/> |
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| 100 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 101 | UnhideWhenUsed="true" Name="toc 5"/> |
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| 102 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 103 | UnhideWhenUsed="true" Name="toc 6"/> |
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| 104 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 105 | UnhideWhenUsed="true" Name="toc 7"/> |
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| 106 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 107 | UnhideWhenUsed="true" Name="toc 8"/> |
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| 108 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
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| 109 | UnhideWhenUsed="true" Name="toc 9"/> |
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| 110 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 111 | Name="Normal Indent"/> |
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| 112 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 113 | Name="footnote text"/> |
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| 114 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 115 | Name="annotation text"/> |
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| 116 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 117 | Name="header"/> |
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| 118 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 119 | Name="footer"/> |
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| 120 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 121 | Name="index heading"/> |
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| 122 | <w:LsdException Locked="false" Priority="35" SemiHidden="true" |
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| 123 | UnhideWhenUsed="true" QFormat="true" Name="caption"/> |
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| 124 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 125 | Name="table of figures"/> |
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| 126 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 127 | Name="envelope address"/> |
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| 128 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 129 | Name="envelope return"/> |
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| 130 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 131 | Name="footnote reference"/> |
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| 132 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 133 | Name="annotation reference"/> |
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| 134 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 135 | Name="line number"/> |
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| 136 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 137 | Name="page number"/> |
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| 138 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 139 | Name="endnote reference"/> |
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| 140 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 141 | Name="endnote text"/> |
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| 142 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 143 | Name="table of authorities"/> |
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| 144 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 145 | Name="macro"/> |
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| 146 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 147 | Name="toa heading"/> |
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| 148 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 149 | Name="List"/> |
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| 150 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 151 | Name="List Bullet"/> |
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| 152 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 153 | Name="List Number"/> |
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| 154 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 155 | Name="List 2"/> |
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| 156 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 157 | Name="List 3"/> |
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| 158 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 159 | Name="List 4"/> |
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| 160 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 161 | Name="List 5"/> |
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| 162 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 163 | Name="List Bullet 2"/> |
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| 164 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 165 | Name="List Bullet 3"/> |
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| 166 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 167 | Name="List Bullet 4"/> |
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| 168 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 169 | Name="List Bullet 5"/> |
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| 170 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 171 | Name="List Number 2"/> |
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| 172 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 173 | Name="List Number 3"/> |
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| 174 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 175 | Name="List Number 4"/> |
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| 176 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 177 | Name="List Number 5"/> |
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| 178 | <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/> |
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| 179 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 180 | Name="Closing"/> |
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| 181 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 182 | Name="Signature"/> |
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| 183 | <w:LsdException Locked="false" Priority="1" SemiHidden="true" |
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| 184 | UnhideWhenUsed="true" Name="Default Paragraph Font"/> |
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| 185 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 186 | Name="Body Text"/> |
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| 187 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 188 | Name="Body Text Indent"/> |
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| 189 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 190 | Name="List Continue"/> |
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| 191 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 192 | Name="List Continue 2"/> |
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| 193 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 194 | Name="List Continue 3"/> |
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| 195 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 196 | Name="List Continue 4"/> |
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| 197 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 198 | Name="List Continue 5"/> |
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| 199 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 200 | Name="Message Header"/> |
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| 201 | <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/> |
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| 202 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 203 | Name="Salutation"/> |
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| 204 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 205 | Name="Date"/> |
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| 206 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 207 | Name="Body Text First Indent"/> |
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| 208 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 209 | Name="Body Text First Indent 2"/> |
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| 210 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 211 | Name="Note Heading"/> |
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| 212 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 213 | Name="Body Text 2"/> |
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| 214 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 215 | Name="Body Text 3"/> |
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| 216 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 217 | Name="Body Text Indent 2"/> |
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| 218 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 219 | Name="Body Text Indent 3"/> |
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| 220 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 221 | Name="Block Text"/> |
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| 222 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 223 | Name="Hyperlink"/> |
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| 224 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 225 | Name="FollowedHyperlink"/> |
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| 226 | <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/> |
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| 227 | <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/> |
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| 228 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 229 | Name="Document Map"/> |
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| 230 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 231 | Name="Plain Text"/> |
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| 232 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 233 | Name="E-mail Signature"/> |
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| 234 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 235 | Name="HTML Top of Form"/> |
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| 236 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 237 | Name="HTML Bottom of Form"/> |
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| 238 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 239 | Name="Normal (Web)"/> |
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| 240 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 241 | Name="HTML Acronym"/> |
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| 242 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 243 | Name="HTML Address"/> |
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| 244 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 245 | Name="HTML Cite"/> |
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| 246 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 247 | Name="HTML Code"/> |
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| 248 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 249 | Name="HTML Definition"/> |
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| 250 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 251 | Name="HTML Keyboard"/> |
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| 252 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 253 | Name="HTML Preformatted"/> |
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| 254 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 255 | Name="HTML Sample"/> |
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| 256 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 257 | Name="HTML Typewriter"/> |
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| 258 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 259 | Name="HTML Variable"/> |
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| 260 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 261 | Name="Normal Table"/> |
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| 262 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 263 | Name="annotation subject"/> |
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| 264 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 265 | Name="No List"/> |
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| 266 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
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| 267 | Name="Outline List 1"/> |
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| 268 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 269 | Name="Outline List 2"/> |
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| 270 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 271 | Name="Outline List 3"/> |
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| 272 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 273 | Name="Table Simple 1"/> |
|---|
| 274 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 275 | Name="Table Simple 2"/> |
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| 276 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 277 | Name="Table Simple 3"/> |
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| 278 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 279 | Name="Table Classic 1"/> |
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| 280 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 281 | Name="Table Classic 2"/> |
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| 282 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 283 | Name="Table Classic 3"/> |
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| 284 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 285 | Name="Table Classic 4"/> |
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| 286 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 287 | Name="Table Colorful 1"/> |
|---|
| 288 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 289 | Name="Table Colorful 2"/> |
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| 290 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 291 | Name="Table Colorful 3"/> |
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| 292 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 293 | Name="Table Columns 1"/> |
|---|
| 294 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 295 | Name="Table Columns 2"/> |
|---|
| 296 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 297 | Name="Table Columns 3"/> |
|---|
| 298 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 299 | Name="Table Columns 4"/> |
|---|
| 300 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 301 | Name="Table Columns 5"/> |
|---|
| 302 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 303 | Name="Table Grid 1"/> |
|---|
| 304 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 305 | Name="Table Grid 2"/> |
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| 306 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 307 | Name="Table Grid 3"/> |
|---|
| 308 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 309 | Name="Table Grid 4"/> |
|---|
| 310 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 311 | Name="Table Grid 5"/> |
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| 312 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 313 | Name="Table Grid 6"/> |
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| 314 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 315 | Name="Table Grid 7"/> |
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| 316 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 317 | Name="Table Grid 8"/> |
|---|
| 318 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 319 | Name="Table List 1"/> |
|---|
| 320 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 321 | Name="Table List 2"/> |
|---|
| 322 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 323 | Name="Table List 3"/> |
|---|
| 324 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 325 | Name="Table List 4"/> |
|---|
| 326 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 327 | Name="Table List 5"/> |
|---|
| 328 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 329 | Name="Table List 6"/> |
|---|
| 330 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 331 | Name="Table List 7"/> |
|---|
| 332 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 333 | Name="Table List 8"/> |
|---|
| 334 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 335 | Name="Table 3D effects 1"/> |
|---|
| 336 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 337 | Name="Table 3D effects 2"/> |
|---|
| 338 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 339 | Name="Table 3D effects 3"/> |
|---|
| 340 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 341 | Name="Table Contemporary"/> |
|---|
| 342 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 343 | Name="Table Elegant"/> |
|---|
| 344 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 345 | Name="Table Professional"/> |
|---|
| 346 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 347 | Name="Table Subtle 1"/> |
|---|
| 348 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 349 | Name="Table Subtle 2"/> |
|---|
| 350 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 351 | Name="Table Web 1"/> |
|---|
| 352 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 353 | Name="Table Web 2"/> |
|---|
| 354 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 355 | Name="Table Web 3"/> |
|---|
| 356 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 357 | Name="Balloon Text"/> |
|---|
| 358 | <w:LsdException Locked="false" Priority="39" Name="Table Grid"/> |
|---|
| 359 | <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true" |
|---|
| 360 | Name="Table Theme"/> |
|---|
| 361 | <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/> |
|---|
| 362 | <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/> |
|---|
| 363 | <w:LsdException Locked="false" Priority="60" Name="Light Shading"/> |
|---|
| 364 | <w:LsdException Locked="false" Priority="61" Name="Light List"/> |
|---|
| 365 | <w:LsdException Locked="false" Priority="62" Name="Light Grid"/> |
|---|
| 366 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/> |
|---|
| 367 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/> |
|---|
| 368 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/> |
|---|
| 369 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/> |
|---|
| 370 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/> |
|---|
| 371 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/> |
|---|
| 372 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/> |
|---|
| 373 | <w:LsdException Locked="false" Priority="70" Name="Dark List"/> |
|---|
| 374 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/> |
|---|
| 375 | <w:LsdException Locked="false" Priority="72" Name="Colorful List"/> |
|---|
| 376 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/> |
|---|
| 377 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/> |
|---|
| 378 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/> |
|---|
| 379 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/> |
|---|
| 380 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/> |
|---|
| 381 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/> |
|---|
| 382 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/> |
|---|
| 383 | <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/> |
|---|
| 384 | <w:LsdException Locked="false" Priority="34" QFormat="true" |
|---|
| 385 | Name="List Paragraph"/> |
|---|
| 386 | <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/> |
|---|
| 387 | <w:LsdException Locked="false" Priority="30" QFormat="true" |
|---|
| 388 | Name="Intense Quote"/> |
|---|
| 389 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/> |
|---|
| 390 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/> |
|---|
| 391 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/> |
|---|
| 392 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/> |
|---|
| 393 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/> |
|---|
| 394 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/> |
|---|
| 395 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/> |
|---|
| 396 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/> |
|---|
| 397 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/> |
|---|
| 398 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/> |
|---|
| 399 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/> |
|---|
| 400 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/> |
|---|
| 401 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/> |
|---|
| 402 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/> |
|---|
| 403 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/> |
|---|
| 404 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/> |
|---|
| 405 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/> |
|---|
| 406 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/> |
|---|
| 407 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/> |
|---|
| 408 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/> |
|---|
| 409 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/> |
|---|
| 410 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/> |
|---|
| 411 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/> |
|---|
| 412 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/> |
|---|
| 413 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/> |
|---|
| 414 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/> |
|---|
| 415 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/> |
|---|
| 416 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/> |
|---|
| 417 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/> |
|---|
| 418 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/> |
|---|
| 419 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/> |
|---|
| 420 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/> |
|---|
| 421 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/> |
|---|
| 422 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/> |
|---|
| 423 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/> |
|---|
| 424 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/> |
|---|
| 425 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/> |
|---|
| 426 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/> |
|---|
| 427 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/> |
|---|
| 428 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/> |
|---|
| 429 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/> |
|---|
| 430 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/> |
|---|
| 431 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/> |
|---|
| 432 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/> |
|---|
| 433 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/> |
|---|
| 434 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/> |
|---|
| 435 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/> |
|---|
| 436 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/> |
|---|
| 437 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/> |
|---|
| 438 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/> |
|---|
| 439 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/> |
|---|
| 440 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/> |
|---|
| 441 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/> |
|---|
| 442 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/> |
|---|
| 443 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/> |
|---|
| 444 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/> |
|---|
| 445 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/> |
|---|
| 446 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/> |
|---|
| 447 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/> |
|---|
| 448 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/> |
|---|
| 449 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/> |
|---|
| 450 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/> |
|---|
| 451 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/> |
|---|
| 452 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/> |
|---|
| 453 | <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/> |
|---|
| 454 | <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/> |
|---|
| 455 | <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/> |
|---|
| 456 | <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/> |
|---|
| 457 | <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/> |
|---|
| 458 | <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/> |
|---|
| 459 | <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/> |
|---|
| 460 | <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/> |
|---|
| 461 | <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/> |
|---|
| 462 | <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/> |
|---|
| 463 | <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/> |
|---|
| 464 | <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/> |
|---|
| 465 | <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/> |
|---|
| 466 | <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/> |
|---|
| 467 | <w:LsdException Locked="false" Priority="19" QFormat="true" |
|---|
| 468 | Name="Subtle Emphasis"/> |
|---|
| 469 | <w:LsdException Locked="false" Priority="21" QFormat="true" |
|---|
| 470 | Name="Intense Emphasis"/> |
|---|
| 471 | <w:LsdException Locked="false" Priority="31" QFormat="true" |
|---|
| 472 | Name="Subtle Reference"/> |
|---|
| 473 | <w:LsdException Locked="false" Priority="32" QFormat="true" |
|---|
| 474 | Name="Intense Reference"/> |
|---|
| 475 | <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/> |
|---|
| 476 | <w:LsdException Locked="false" Priority="37" SemiHidden="true" |
|---|
| 477 | UnhideWhenUsed="true" Name="Bibliography"/> |
|---|
| 478 | <w:LsdException Locked="false" Priority="39" SemiHidden="true" |
|---|
| 479 | UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/> |
|---|
| 480 | <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/> |
|---|
| 481 | <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/> |
|---|
| 482 | <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/> |
|---|
| 483 | <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/> |
|---|
| 484 | <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/> |
|---|
| 485 | <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/> |
|---|
| 486 | <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/> |
|---|
| 487 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/> |
|---|
| 488 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/> |
|---|
| 489 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/> |
|---|
| 490 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/> |
|---|
| 491 | <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/> |
|---|
| 492 | <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/> |
|---|
| 493 | <w:LsdException Locked="false" Priority="46" |
|---|
| 494 | Name="Grid Table 1 Light Accent 1"/> |
|---|
| 495 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/> |
|---|
| 496 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/> |
|---|
| 497 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/> |
|---|
| 498 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/> |
|---|
| 499 | <w:LsdException Locked="false" Priority="51" |
|---|
| 500 | Name="Grid Table 6 Colorful Accent 1"/> |
|---|
| 501 | <w:LsdException Locked="false" Priority="52" |
|---|
| 502 | Name="Grid Table 7 Colorful Accent 1"/> |
|---|
| 503 | <w:LsdException Locked="false" Priority="46" |
|---|
| 504 | Name="Grid Table 1 Light Accent 2"/> |
|---|
| 505 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/> |
|---|
| 506 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/> |
|---|
| 507 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/> |
|---|
| 508 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/> |
|---|
| 509 | <w:LsdException Locked="false" Priority="51" |
|---|
| 510 | Name="Grid Table 6 Colorful Accent 2"/> |
|---|
| 511 | <w:LsdException Locked="false" Priority="52" |
|---|
| 512 | Name="Grid Table 7 Colorful Accent 2"/> |
|---|
| 513 | <w:LsdException Locked="false" Priority="46" |
|---|
| 514 | Name="Grid Table 1 Light Accent 3"/> |
|---|
| 515 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/> |
|---|
| 516 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/> |
|---|
| 517 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/> |
|---|
| 518 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/> |
|---|
| 519 | <w:LsdException Locked="false" Priority="51" |
|---|
| 520 | Name="Grid Table 6 Colorful Accent 3"/> |
|---|
| 521 | <w:LsdException Locked="false" Priority="52" |
|---|
| 522 | Name="Grid Table 7 Colorful Accent 3"/> |
|---|
| 523 | <w:LsdException Locked="false" Priority="46" |
|---|
| 524 | Name="Grid Table 1 Light Accent 4"/> |
|---|
| 525 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/> |
|---|
| 526 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/> |
|---|
| 527 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/> |
|---|
| 528 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/> |
|---|
| 529 | <w:LsdException Locked="false" Priority="51" |
|---|
| 530 | Name="Grid Table 6 Colorful Accent 4"/> |
|---|
| 531 | <w:LsdException Locked="false" Priority="52" |
|---|
| 532 | Name="Grid Table 7 Colorful Accent 4"/> |
|---|
| 533 | <w:LsdException Locked="false" Priority="46" |
|---|
| 534 | Name="Grid Table 1 Light Accent 5"/> |
|---|
| 535 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/> |
|---|
| 536 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/> |
|---|
| 537 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/> |
|---|
| 538 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/> |
|---|
| 539 | <w:LsdException Locked="false" Priority="51" |
|---|
| 540 | Name="Grid Table 6 Colorful Accent 5"/> |
|---|
| 541 | <w:LsdException Locked="false" Priority="52" |
|---|
| 542 | Name="Grid Table 7 Colorful Accent 5"/> |
|---|
| 543 | <w:LsdException Locked="false" Priority="46" |
|---|
| 544 | Name="Grid Table 1 Light Accent 6"/> |
|---|
| 545 | <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/> |
|---|
| 546 | <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/> |
|---|
| 547 | <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/> |
|---|
| 548 | <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/> |
|---|
| 549 | <w:LsdException Locked="false" Priority="51" |
|---|
| 550 | Name="Grid Table 6 Colorful Accent 6"/> |
|---|
| 551 | <w:LsdException Locked="false" Priority="52" |
|---|
| 552 | Name="Grid Table 7 Colorful Accent 6"/> |
|---|
| 553 | <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/> |
|---|
| 554 | <w:LsdException Locked="false" Priority="47" Name="List Table 2"/> |
|---|
| 555 | <w:LsdException Locked="false" Priority="48" Name="List Table 3"/> |
|---|
| 556 | <w:LsdException Locked="false" Priority="49" Name="List Table 4"/> |
|---|
| 557 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/> |
|---|
| 558 | <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/> |
|---|
| 559 | <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/> |
|---|
| 560 | <w:LsdException Locked="false" Priority="46" |
|---|
| 561 | Name="List Table 1 Light Accent 1"/> |
|---|
| 562 | <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/> |
|---|
| 563 | <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/> |
|---|
| 564 | <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/> |
|---|
| 565 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/> |
|---|
| 566 | <w:LsdException Locked="false" Priority="51" |
|---|
| 567 | Name="List Table 6 Colorful Accent 1"/> |
|---|
| 568 | <w:LsdException Locked="false" Priority="52" |
|---|
| 569 | Name="List Table 7 Colorful Accent 1"/> |
|---|
| 570 | <w:LsdException Locked="false" Priority="46" |
|---|
| 571 | Name="List Table 1 Light Accent 2"/> |
|---|
| 572 | <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/> |
|---|
| 573 | <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/> |
|---|
| 574 | <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/> |
|---|
| 575 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/> |
|---|
| 576 | <w:LsdException Locked="false" Priority="51" |
|---|
| 577 | Name="List Table 6 Colorful Accent 2"/> |
|---|
| 578 | <w:LsdException Locked="false" Priority="52" |
|---|
| 579 | Name="List Table 7 Colorful Accent 2"/> |
|---|
| 580 | <w:LsdException Locked="false" Priority="46" |
|---|
| 581 | Name="List Table 1 Light Accent 3"/> |
|---|
| 582 | <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/> |
|---|
| 583 | <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/> |
|---|
| 584 | <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/> |
|---|
| 585 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/> |
|---|
| 586 | <w:LsdException Locked="false" Priority="51" |
|---|
| 587 | Name="List Table 6 Colorful Accent 3"/> |
|---|
| 588 | <w:LsdException Locked="false" Priority="52" |
|---|
| 589 | Name="List Table 7 Colorful Accent 3"/> |
|---|
| 590 | <w:LsdException Locked="false" Priority="46" |
|---|
| 591 | Name="List Table 1 Light Accent 4"/> |
|---|
| 592 | <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/> |
|---|
| 593 | <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/> |
|---|
| 594 | <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/> |
|---|
| 595 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/> |
|---|
| 596 | <w:LsdException Locked="false" Priority="51" |
|---|
| 597 | Name="List Table 6 Colorful Accent 4"/> |
|---|
| 598 | <w:LsdException Locked="false" Priority="52" |
|---|
| 599 | Name="List Table 7 Colorful Accent 4"/> |
|---|
| 600 | <w:LsdException Locked="false" Priority="46" |
|---|
| 601 | Name="List Table 1 Light Accent 5"/> |
|---|
| 602 | <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/> |
|---|
| 603 | <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/> |
|---|
| 604 | <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/> |
|---|
| 605 | <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/> |
|---|
| 606 | <w:LsdException Locked="false" Priority="51" |
|---|
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| 940 | |
|---|
| 941 | <h1><span style='mso-fareast-font-family:"Times New Roman"'>Single crystal |
|---|
| 942 | structure determination and refinement with X-ray data in GSAS-II<o:p></o:p></span></h1> |
|---|
| 943 | |
|---|
| 944 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Introduction<o:p></o:p></span></h2> |
|---|
| 945 | |
|---|
| 946 | <p class=MsoNormal>In this exercise we will use a set of X-ray single crystal |
|---|
| 947 | structure factors to solve the structure of <span class=SpellE>dipyridyl</span> |
|---|
| 948 | disulfide by charge flipping and then refine the structure by least-squares. |
|---|
| 949 | The structure will be completed by adding the requisite hydrogen atoms and by |
|---|
| 950 | using anisotropic thermal parameters for the heavier atoms. The structure was |
|---|
| 951 | originally solved by <span class=SpellE>Raghavan</span> & <span |
|---|
| 952 | class=SpellE>Seff</span>, <span class=SpellE>Acta</span> <span class=SpellE>Cryst</span>. |
|---|
| 953 | B33, 386-391 (1977) in the space group P2<sub>1</sub>/c with one disordered |
|---|
| 954 | pyridine ring with indications that the true space group was P2<sub>1</sub>. It |
|---|
| 955 | was subsequently reinvestigated by Young (2014
.) who found that the true space |
|---|
| 956 | group was P2<sub>1</sub> with 4 molecules in the asymmetric unit. The data used |
|---|
| 957 | in the latter analysis is what is used here and is provided as a <span |
|---|
| 958 | class=SpellE>fcf</span> file obtained after structure analysis by Shelx-97; |
|---|
| 959 | the structure factors are scaled to those calculated from the structure. We |
|---|
| 960 | will solve the P 2<sub>1</sub>/c structure first.</p> |
|---|
| 961 | |
|---|
| 962 | <p class=MsoNormal> </p> |
|---|
| 963 | |
|---|
| 964 | <p class=MsoNormal>Note that menu entries and user input are shown in bold face |
|---|
| 965 | below as <b><span style='font-family:"Calibri",sans-serif'>Help/About GSAS-II</span></b>, |
|---|
| 966 | which lists first the name of the menu (here <b><span style='font-family:"Calibri",sans-serif'>Help</span></b>) |
|---|
| 967 | and second the name of the entry in the menu (here <b><span style='font-family: |
|---|
| 968 | "Calibri",sans-serif'>About GSAS-II</span></b>). If you have not done so |
|---|
| 969 | already, start GSAS-II</p> |
|---|
| 970 | |
|---|
| 971 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 1. Input phase |
|---|
| 972 | information<o:p></o:p></span></h2> |
|---|
| 973 | |
|---|
| 974 | <p class=MsoListParagraph style='text-indent:-.25in'>1.<span style='font-size: |
|---|
| 975 | 7.0pt'> </span>Use the <b><span style='font-family: |
|---|
| 976 | "Calibri",sans-serif'>Data/Add phase</span></b> menu item add a new phase into |
|---|
| 977 | the current GSAS-II project. A popup window will appear asking for a phase |
|---|
| 978 | name; I entered <b><span style='font-family:"Calibri",sans-serif'>SS <span |
|---|
| 979 | class=SpellE>dipyridyl</span></span></b>; press <b><span style='font-family: |
|---|
| 980 | "Calibri",sans-serif'>OK</span></b> when done. Select <b><span |
|---|
| 981 | style='font-family:"Calibri",sans-serif'>Loaded Data/Phases/SS <span |
|---|
| 982 | class=SpellE>dipyridyl</span></span></b> from the GSAS-II Data tree window. The |
|---|
| 983 | General tab for Phase Data will appear.</p> |
|---|
| 984 | |
|---|
| 985 | <p class=MsoListParagraph><span style='mso-no-proof:yes'><img width=524 |
|---|
| 986 | height=307 id="_x0000_i1042" src="CFSingleCrystal_files/image001.png"></span></p> |
|---|
| 987 | |
|---|
| 988 | <p class=MsoListParagraph style='text-indent:-.25in'>2.<span style='font-size: |
|---|
| 989 | 7.0pt'> </span>Enter the space group <b><span |
|---|
| 990 | style='font-family:"Calibri",sans-serif'>P 21/c</span></b> (dont forget the |
|---|
| 991 | space between P & 21/c) & press <b><span style='font-family:"Calibri",sans-serif'>Enter</span></b>. |
|---|
| 992 | A Space Group Information popup window will appear; press <b><span |
|---|
| 993 | style='font-family:"Calibri",sans-serif'>OK</span></b>. The General window will |
|---|
| 994 | be refreshed showing only the needed lattice parameters for P 21/c.</p> |
|---|
| 995 | |
|---|
| 996 | <p class=MsoListParagraph><span style='mso-no-proof:yes'><img width=522 |
|---|
| 997 | height=361 id="_x0000_i1041" src="CFSingleCrystal_files/image002.png"></span></p> |
|---|
| 998 | |
|---|
| 999 | <p class=MsoListParagraph style='text-indent:-.25in'>3.<span style='font-size: |
|---|
| 1000 | 7.0pt'> </span>Enter <b><span style='font-family: |
|---|
| 1001 | "Calibri",sans-serif'>15.8489</span></b>, <b><span style='font-family:"Calibri",sans-serif'>5.5008</span></b>, |
|---|
| 1002 | <b><span style='font-family:"Calibri",sans-serif'>23.118</span></b>, and <b><span |
|---|
| 1003 | style='font-family:"Calibri",sans-serif'>96.9160</span></b> for a, b, c and |
|---|
| 1004 | beta, respectively; the unit cell volume will be recalculated at each entry.</p> |
|---|
| 1005 | |
|---|
| 1006 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 2. Import |
|---|
| 1007 | structure factors <o:p></o:p></span></h2> |
|---|
| 1008 | |
|---|
| 1009 | <p class=MsoNormal>There are two parts to this step: one is to import the data |
|---|
| 1010 | and the second is to connect the data with the phase within GSAS-II.</p> |
|---|
| 1011 | |
|---|
| 1012 | <p class=MsoNormal>To do these, do <b><span style='font-family:"Calibri",sans-serif'>Import/Structure |
|---|
| 1013 | factor/from CIF file</span></b> from the main GSAS-II data tree window menu. A |
|---|
| 1014 | file selection dialog will appear; find <b><span style='font-family:"Calibri",sans-serif'>CF |
|---|
| 1015 | <span class=SpellE>Xray</span> single crystal\data\S2dipyridyl.fcf</span></b> |
|---|
| 1016 | and press <b><span style='font-family:"Calibri",sans-serif'>Open</span></b>. A |
|---|
| 1017 | popup window asking if this is the file you want; press <b><span |
|---|
| 1018 | style='font-family:"Calibri",sans-serif'>Yes</span></b>. After a pause while |
|---|
| 1019 | the file is read a new popup will appear offering the chance to rename the |
|---|
| 1020 | structure factor set; press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. |
|---|
| 1021 | After some <span class=GramE>time</span> a new popup will appear to Add the new |
|---|
| 1022 | structure factor set to the SS <span class=SpellE>dipyridyl</span> phase. |
|---|
| 1023 | Select the phase and press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. |
|---|
| 1024 | The plot will show a rectangular array of circles for the hk0 reflection layer; |
|---|
| 1025 | select the plot & press <b><span style='font-family:"Calibri",sans-serif'>k</span></b> |
|---|
| 1026 | to get an h0l layer.</p> |
|---|
| 1027 | |
|---|
| 1028 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=412 |
|---|
| 1029 | id="_x0000_i1040" src="CFSingleCrystal_files/image003.png"></span></p> |
|---|
| 1030 | |
|---|
| 1031 | <p class=MsoNormal>Because the <span class=SpellE>fcf</span> file has both |
|---|
| 1032 | observed and calculated structure factors, the plot shows a small R value for |
|---|
| 1033 | the layer. The observed structure factors are shown as blue rings, the |
|---|
| 1034 | calculated ones as green rings and a small green or red dot may appear at each |
|---|
| 1035 | ring center showing <span class=SpellE>F<sub>o</sub></span>-F<sub>c</sub>. If |
|---|
| 1036 | the reflection data file had only observed structure <span class=GramE>factors</span> |
|---|
| 1037 | then only blue rings will be seen. You can explore the plot options in the <b><span |
|---|
| 1038 | style='font-family:"Calibri",sans-serif'>K</span></b> box in the plot toolbar.</p> |
|---|
| 1039 | |
|---|
| 1040 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 3. Setup for |
|---|
| 1041 | charge flipping<o:p></o:p></span></h2> |
|---|
| 1042 | |
|---|
| 1043 | <p class=MsoNormal>To solve (again) this crystal structure we will use charge |
|---|
| 1044 | flipping. Charge flipping in GSAS-II is implemented to solve the crystal |
|---|
| 1045 | structure without consideration of space group symmetry. To do this it operates |
|---|
| 1046 | on the entire unit cell volume to a selected resolution (usually 0.5Å) using |
|---|
| 1047 | fast <span class=SpellE>fourier</span> transform techniques. This requires a |
|---|
| 1048 | set of structure factors in an array of the same dimensions as the density |
|---|
| 1049 | array covering the unit cell (i.e. a box bounded by ~0.5Å resolution). The |
|---|
| 1050 | space group symmetry is applied to the observed structure factors to create a |
|---|
| 1051 | full sphere which is then zero filled out to the 0.5Å resolution bounded box. |
|---|
| 1052 | To be reasonably assured of success, the observed structure factors should |
|---|
| 1053 | extend to ~1Å resolution; we have that here for this example. To begin select <b><span |
|---|
| 1054 | style='font-family:"Calibri",sans-serif'>Phases/SS <span class=SpellE>dipyridyl</span></span></b> |
|---|
| 1055 | from the GSAS-II data tree; the General tab will be shown</p> |
|---|
| 1056 | |
|---|
| 1057 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=401 |
|---|
| 1058 | id="_x0000_i1039" src="CFSingleCrystal_files/image004.png"></span></p> |
|---|
| 1059 | |
|---|
| 1060 | <p class=MsoNormal>Find the <b><span style='font-family:"Calibri",sans-serif'>Fourier |
|---|
| 1061 | map controls</span></b> and change the <b><span style='font-family:"Calibri",sans-serif'>Peak |
|---|
| 1062 | cutoff %</span></b> to <b><span style='font-family:"Calibri",sans-serif'>10</span></b>; |
|---|
| 1063 | then immediately below find the <b><span style='font-family:"Calibri",sans-serif'>Charge |
|---|
| 1064 | flip controls</span></b>. Press <b><span style='font-family:"Calibri",sans-serif'>Select |
|---|
| 1065 | reflection sets</span></b>, pick <b><span style='font-family:"Calibri",sans-serif'>HKLF |
|---|
| 1066 | S2dipyridyl.fcf:1a</span></b> from the list (the only one) and press <b><span |
|---|
| 1067 | style='font-family:"Calibri",sans-serif'>OK</span></b>. If you had multiple |
|---|
| 1068 | data sets for this phase, you can pick more than one and GSAS-II will use a |
|---|
| 1069 | last one in process for assembling the reflection set to use for charge |
|---|
| 1070 | flipping. There are four more settings to consider: 1) <span class=SpellE>kMax</span> |
|---|
| 1071 | controls the upper cutoff for charge flipping; if the density is > k-Max*<span |
|---|
| 1072 | style='font-family:Symbol'>s<sub>r</sub></span> (map standard deviation) then |
|---|
| 1073 | flip the charge. This prevents the Uranium solution sometimes found where all |
|---|
| 1074 | the density is concentrated in a single peak. A useful guide is to use twice |
|---|
| 1075 | the largest atomic number of any element in your structure. For equal atom |
|---|
| 1076 | problems use 12-15; adjust upward for structures with heavy & light atoms. |
|---|
| 1077 | In this case, set <b><span style='font-family:"Calibri",sans-serif'>k-Max</span></b> |
|---|
| 1078 | to <b><span style='font-family:"Calibri",sans-serif'>30.0</span></b> to allow |
|---|
| 1079 | the S atom to appear. 2) k-Factor controls the lower level for charge flipping; |
|---|
| 1080 | if the density is < k-Factor*<span style='font-family:Symbol'>s<sub>r</sub></span> |
|---|
| 1081 | then flip the charge. The default value seems to work pretty well; Id only |
|---|
| 1082 | change it if the charge flipping is having trouble solving the structure. 3) |
|---|
| 1083 | Resolution selects the spacing between map points. 0.5Å is sufficient in most |
|---|
| 1084 | cases. Choosing a smaller value requires more map points (NB: GSAS-II uses the |
|---|
| 1085 | entire unit cell volume for charge flipping) and thus will require more |
|---|
| 1086 | structure factors since the fast <span class=SpellE>fourier</span> algorithm |
|---|
| 1087 | requires the same size arrays in both real space and reciprocal space. This |
|---|
| 1088 | will slow down the charge flip process. 4) Normalizing element selects a form |
|---|
| 1089 | factor to rescale the structure factors thus sharpening the density map. I |
|---|
| 1090 | suggest trying <b><span style='font-family:"Calibri",sans-serif'>None</span></b> |
|---|
| 1091 | first, otherwise select a representative element (really doesnt matter which).</p> |
|---|
| 1092 | |
|---|
| 1093 | <h2 style='page-break-after:avoid'><span style='mso-fareast-font-family:"Times New Roman"'>Step |
|---|
| 1094 | 4. Charge flipping<o:p></o:p></span></h2> |
|---|
| 1095 | |
|---|
| 1096 | <p class=MsoNormal>With the controls all set you can now do charge flipping; |
|---|
| 1097 | from the <b><span style='font-family:"Calibri",sans-serif'>General</span></b> |
|---|
| 1098 | tab do <b><span style='font-family:"Calibri",sans-serif'>Compute/Charge |
|---|
| 1099 | flipping</span></b>. A progress bar popup will appear showing the residual |
|---|
| 1100 | between the observed structure factors and those obtained from the inverse <span |
|---|
| 1101 | class=SpellE>fourier</span> transform of the last flipped density map. It |
|---|
| 1102 | should quickly decrease to the ~20% range and level out indicating a good |
|---|
| 1103 | charge flip solution. When it has reached this, press <b><span |
|---|
| 1104 | style='font-family:"Calibri",sans-serif'>Cancel</span></b> to stop the process.</p> |
|---|
| 1105 | |
|---|
| 1106 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=366 height=180 |
|---|
| 1107 | id="_x0000_i1038" src="CFSingleCrystal_files/image005.png"></span></p> |
|---|
| 1108 | |
|---|
| 1109 | <p class=MsoNormal>The console window will show something like</p> |
|---|
| 1110 | |
|---|
| 1111 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=166 |
|---|
| 1112 | id="_x0000_i1037" src="CFSingleCrystal_files/image006.png"></span></p> |
|---|
| 1113 | |
|---|
| 1114 | <p class=MsoNormal>There may be a pause at <b><span style='font-family:"Calibri",sans-serif'>Begin |
|---|
| 1115 | <span class=SpellE>fourier</span> map search</span></b> before it finishes. |
|---|
| 1116 | Provided is a summary of the charge flip calculation (time, map size, density |
|---|
| 1117 | range & structure factor residual). The map offset is discovered by an |
|---|
| 1118 | analysis of the reflection phases with respect to how they should be |
|---|
| 1119 | distributed for your chosen space group. These offsets are then applied to |
|---|
| 1120 | shift the map so that the symmetry elements are properly located in the unit |
|---|
| 1121 | cell. The quality of this fit (chi**2) is given. This process is not |
|---|
| 1122 | necessarily perfect; you are given an opportunity to hand-tune the offset. <span |
|---|
| 1123 | class=GramE>Finally</span> the number of peaks found in the map is listed, the |
|---|
| 1124 | structure is drawn (Ive made the view down the b-axis)</p> |
|---|
| 1125 | |
|---|
| 1126 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=478 height=402 |
|---|
| 1127 | id="_x0000_i1036" src="CFSingleCrystal_files/image007.jpg"></span></p> |
|---|
| 1128 | |
|---|
| 1129 | <p class=MsoNormal> and the Phase data window will show the map peaks tab</p> |
|---|
| 1130 | |
|---|
| 1131 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=500 height=300 |
|---|
| 1132 | id="_x0000_i1035" src="CFSingleCrystal_files/image008.png"></span></p> |
|---|
| 1133 | |
|---|
| 1134 | <p class=MsoNormal>These are listed in order of magnitude; a double click on |
|---|
| 1135 | any of the table headings will sort the list according to that parameter. My |
|---|
| 1136 | list has 112 entries; <span class=SpellE>dipyridyl</span> disulfide has 14 C |
|---|
| 1137 | & S atoms so this list is appropriate for 8 molecules in the unit cell and |
|---|
| 1138 | thus all atoms were found in this charge flipping result.</p> |
|---|
| 1139 | |
|---|
| 1140 | <p class=MsoNormal>If all went well then the drawing should nicely show all the |
|---|
| 1141 | atoms in the structure placed properly with respect to the locations of the |
|---|
| 1142 | inversion centers (they are at all the corners, edge centers, face centers and |
|---|
| 1143 | cell center). If not then you can shift the map & peaks with the <b><span |
|---|
| 1144 | style='font-family:"Calibri",sans-serif'>L</span></b>, <b><span |
|---|
| 1145 | style='font-family:"Calibri",sans-serif'>R</span></b>, <b><span |
|---|
| 1146 | style='font-family:"Calibri",sans-serif'>U</span></b> & <b><span |
|---|
| 1147 | style='font-family:"Calibri",sans-serif'>D</span></b> keys (NB: rotate the |
|---|
| 1148 | drawing so the axes are ~horizontal/vertical); the map/peaks will move in |
|---|
| 1149 | resolution steps (0.5A). The table is also updated with new peak positions. You |
|---|
| 1150 | could also just repeat the charge flipping and hope to get a better map offset |
|---|
| 1151 | solution (examine the map offset chi**2 to get a sense of this). You can also |
|---|
| 1152 | show the map density (highest point is shown as a green dot somewhere in the |
|---|
| 1153 | map on a S-atom position); select the <b><span style='font-family:"Calibri",sans-serif'>Draw |
|---|
| 1154 | Options</span></b> tab and use the <b><span style='font-family:"Calibri",sans-serif'>Contour |
|---|
| 1155 | level</span></b> slider. The drawing will show green dots at each set map point |
|---|
| 1156 | with size in proportion to the density. The mouse <b><span style='font-family: |
|---|
| 1157 | "Calibri",sans-serif'>RB</span></b> can be used to slide the structure around; |
|---|
| 1158 | the density is always drawn in a space surrounding the view point (multicolored |
|---|
| 1159 | cross at the center). While here you can also change the <b><span |
|---|
| 1160 | style='font-family:"Calibri",sans-serif'>Bond search factor</span></b> to <b><span |
|---|
| 1161 | style='font-family:"Calibri",sans-serif'>0.90</span></b> to ensure all S-C |
|---|
| 1162 | bonds are shown.</p> |
|---|
| 1163 | |
|---|
| 1164 | <p class=MsoNormal>If the charge flipping has failed (high residual & no |
|---|
| 1165 | recognizable structure) the process should be just repeated. This gives it a |
|---|
| 1166 | new random start for the structure factor phases which may lead to a good |
|---|
| 1167 | solution. After a few attempts, you can try different control settings to see |
|---|
| 1168 | if that will coax out a good solution; first be sure <b><span style='font-family: |
|---|
| 1169 | "Calibri",sans-serif'>k-Max</span></b> is properly set and then perhaps try |
|---|
| 1170 | different <b><span style='font-family:"Calibri",sans-serif'>k-Factors</span></b> |
|---|
| 1171 | and do <b><span style='font-family:"Calibri",sans-serif'>Normalizing</span></b> |
|---|
| 1172 | by some element form factor. If it seemed to work but very few peaks were |
|---|
| 1173 | found, make sure <b><span style='font-family:"Calibri",sans-serif'>Peak cutoff</span></b> |
|---|
| 1174 | was properly set; you can then repeat the peak search by doing <b><span |
|---|
| 1175 | style='font-family:"Calibri",sans-serif'>Compute/Search map</span></b>.</p> |
|---|
| 1176 | |
|---|
| 1177 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 5. Extract |
|---|
| 1178 | solution and make molecules<o:p></o:p></span></h2> |
|---|
| 1179 | |
|---|
| 1180 | <p class=MsoNormal>Assuming that the map & peak positions are properly |
|---|
| 1181 | placed with respect to the symmetry elements of the space group, we can now |
|---|
| 1182 | select those peaks which describe the structure. Select the <b><span |
|---|
| 1183 | style='font-family:"Calibri",sans-serif'>Map peaks</span></b> tab and double LB |
|---|
| 1184 | click the blank upper left corner of the table; all entries will be highlighted |
|---|
| 1185 | in blue. Then do <b><span style='font-family:"Calibri",sans-serif'>Map |
|---|
| 1186 | peaks/Unique peaks</span></b>; after a bit of time 1/4 of the peaks in the list |
|---|
| 1187 | will be highlighted and the corresponding peaks in the drawing will be green |
|---|
| 1188 | (NB: if you navigate away from this tab, this selection will be lost and youll |
|---|
| 1189 | have to repeat it!). Next, do <b><span style='font-family:"Calibri",sans-serif'>Map |
|---|
| 1190 | peaks/Move peaks</span></b>; these peaks will be transferred to the <b><span |
|---|
| 1191 | style='font-family:"Calibri",sans-serif'>Atoms</span></b> list as H-atoms named |
|---|
| 1192 | according to their position in the magnitude column.</p> |
|---|
| 1193 | |
|---|
| 1194 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=267 |
|---|
| 1195 | id="_x0000_i1034" src="CFSingleCrystal_files/image009.png"></span></p> |
|---|
| 1196 | |
|---|
| 1197 | <p class=MsoNormal>The drawing will show white balls at the atom positions |
|---|
| 1198 | scattered over several molecules.</p> |
|---|
| 1199 | |
|---|
| 1200 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=474 height=409 |
|---|
| 1201 | id="_x0000_i1033" src="CFSingleCrystal_files/image010.jpg"></span></p> |
|---|
| 1202 | |
|---|
| 1203 | <p class=MsoNormal>Notice that 4 atoms have magnitudes ~90+, these are the S |
|---|
| 1204 | atoms. The rest are C & N atoms. In the <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b> |
|---|
| 1205 | tab select the first 4 atoms (press LB on the 1<sup>st</sup> & shift LB on |
|---|
| 1206 | the 4<sup>th</sup> one). Then do <b><span style='font-family:"Calibri",sans-serif'>Edit/Modify |
|---|
| 1207 | atom parameters</span></b>; a popup window will appear. Select <b><span |
|---|
| 1208 | style='font-family:"Calibri",sans-serif'>Type</span></b> & press <b><span |
|---|
| 1209 | style='font-family:"Calibri",sans-serif'>OK</span></b>; a Periodic Table will |
|---|
| 1210 | appear. Select <b><span style='font-family:"Calibri",sans-serif'>S</span></b>; |
|---|
| 1211 | the atoms will be <span class=GramE>renames</span> and their Type changed to S. |
|---|
| 1212 | Next select the remaining H atoms (a quick way it to double LB click the <b><span |
|---|
| 1213 | style='font-family:"Calibri",sans-serif'>Type</span></b> column heading and |
|---|
| 1214 | select <b><span style='font-family:"Calibri",sans-serif'>H</span></b> from the |
|---|
| 1215 | popup window). Then do <b><span style='font-family:"Calibri",sans-serif'>Edit/Modify |
|---|
| 1216 | atom parameters</span></b> and <b><span style='font-family:"Calibri",sans-serif'>Type</span></b> |
|---|
| 1217 | from the popup; select <b><span style='font-family:"Calibri",sans-serif'>C</span></b> |
|---|
| 1218 | from the Periodic Table as we dont know which ones are N. The drawing will |
|---|
| 1219 | change (you may have to wiggle it a bit to force the update).</p> |
|---|
| 1220 | |
|---|
| 1221 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=390 |
|---|
| 1222 | id="_x0000_i1032" src="CFSingleCrystal_files/image011.jpg"></span></p> |
|---|
| 1223 | |
|---|
| 1224 | <p class=MsoNormal>Notice that the atoms are scattered over several molecules; |
|---|
| 1225 | we want to assemble them into 2 conveniently placed ones. Begin by selecting an |
|---|
| 1226 | atom (make sure the <b><span style='font-family:"Calibri",sans-serif'>Atom</span></b> |
|---|
| 1227 | tab is displayed & do shift LB on an atom in the drawing I chose the S |
|---|
| 1228 | atom near the upper middle); it will turn green and a line in the Atom table |
|---|
| 1229 | will be highlighted. Next do <b><span style='font-family:"Calibri",sans-serif'>Edit/Assemble |
|---|
| 1230 | molecule</span></b>; a popup window will appear. Change the <b><span |
|---|
| 1231 | style='font-family:"Calibri",sans-serif'>Bond search factor</span></b> to <b><span |
|---|
| 1232 | style='font-family:"Calibri",sans-serif'>0.90</span></b> to be sure all S-C |
|---|
| 1233 | bonds are found.</p> |
|---|
| 1234 | |
|---|
| 1235 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=265 height=223 |
|---|
| 1236 | id="_x0000_i1031" src="CFSingleCrystal_files/image012.png"></span> </p> |
|---|
| 1237 | |
|---|
| 1238 | <p class=MsoNormal>Press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>; |
|---|
| 1239 | atoms will be collected into a <span class=SpellE>well positioned</span> group, |
|---|
| 1240 | but others are not. Next select one of the unassembled atoms (I chose a C-atom |
|---|
| 1241 | in a nearby SS-<span class=SpellE>dipyridyl</span>) and do <b><span |
|---|
| 1242 | style='font-family:"Calibri",sans-serif'>Edit/Assemble molecule</span></b>; |
|---|
| 1243 | there will be two nicely assembled SS-<span class=SpellE>dipyridyls</span>.</p> |
|---|
| 1244 | |
|---|
| 1245 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=384 |
|---|
| 1246 | id="_x0000_i1030" src="CFSingleCrystal_files/image013.jpg"></span></p> |
|---|
| 1247 | |
|---|
| 1248 | <p class=MsoNormal>You should probably save this project as it contains your |
|---|
| 1249 | solved crystal structure.</p> |
|---|
| 1250 | |
|---|
| 1251 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 6. Initial |
|---|
| 1252 | refinement<o:p></o:p></span></h2> |
|---|
| 1253 | |
|---|
| 1254 | <p class=MsoNormal>Since we now have a structural model, we can do the initial |
|---|
| 1255 | structure refinement. By <span class=GramE>default</span> this will only refine |
|---|
| 1256 | the scale factor; do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> |
|---|
| 1257 | from the main GSAS-II data tree window. Convergence will quickly occur with <span |
|---|
| 1258 | class=SpellE>Rw</span> ~35%. More useful is to refine the atom positions and |
|---|
| 1259 | isotropic thermal parameters. Select the <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b> |
|---|
| 1260 | tab from the Phase window. Then LB double click the <b><span style='font-family: |
|---|
| 1261 | "Calibri",sans-serif'>refine</span></b> column heading; a popup window will |
|---|
| 1262 | appear. Select <b><span style='font-family:"Calibri",sans-serif'>X</span></b> |
|---|
| 1263 | and <b><span style='font-family:"Calibri",sans-serif'>U</span></b> and press <b><span |
|---|
| 1264 | style='font-family:"Calibri",sans-serif'>OK</span></b>. The <b><span |
|---|
| 1265 | style='font-family:"Calibri",sans-serif'>Atoms</span></b> window will show <b><span |
|---|
| 1266 | style='font-family:"Calibri",sans-serif'>XU</span></b> for each atom in the |
|---|
| 1267 | refine column. Then do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> |
|---|
| 1268 | (twice to get convergence) and the <span class=SpellE>Rw</span> ~12%.</p> |
|---|
| 1269 | |
|---|
| 1270 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 7. Determine |
|---|
| 1271 | C/N choice<o:p></o:p></span></h2> |
|---|
| 1272 | |
|---|
| 1273 | <p class=MsoNormal>We know from the chemistry that the N atom is in the 2 |
|---|
| 1274 | position of the pyridine ring, i.e. next to the point of attachment to the |
|---|
| 1275 | S-atom. However, we dont know which one that is and we have 8 atoms of which 4 |
|---|
| 1276 | are C and 4 are N.</p> |
|---|
| 1277 | |
|---|
| 1278 | <p class=MsoNormal>To work out the C/N problem above we need the atoms to be in |
|---|
| 1279 | a chemically sensible order. The assemble molecule routine did construct chains |
|---|
| 1280 | of atoms but this ordering is not really satisfactory. The ordering can quickly |
|---|
| 1281 | be done by hand by following a labelled drawing. First go to the <b><span |
|---|
| 1282 | style='font-family:"Calibri",sans-serif'>Draw Atoms</span></b> tab and double |
|---|
| 1283 | LB click the <b><span style='font-family:"Calibri",sans-serif'>Style</span></b> |
|---|
| 1284 | column; select <b><span style='font-family:"Calibri",sans-serif'>balls & |
|---|
| 1285 | sticks</span></b> from the popup box. Press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. |
|---|
| 1286 | Next, double LB click the <b><span style='font-family:"Calibri",sans-serif'>Label</span></b> |
|---|
| 1287 | column and select <b><span style='font-family:"Calibri",sans-serif'>name</span></b> |
|---|
| 1288 | from the popup box; press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. |
|---|
| 1289 | Then go to the <b><span style='font-family:"Calibri",sans-serif'>Draw options</span></b> |
|---|
| 1290 | tab and adjust the <b><span style='font-family:"Calibri",sans-serif'>Ball scale</span></b> |
|---|
| 1291 | & <b><span style='font-family:"Calibri",sans-serif'>Bond radius </span></b>to |
|---|
| 1292 | allow the labels to be easily seen. After shifting the view point the drawing |
|---|
| 1293 | should look something like</p> |
|---|
| 1294 | |
|---|
| 1295 | <p class=MsoNormal> </p> |
|---|
| 1296 | |
|---|
| 1297 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=474 height=386 |
|---|
| 1298 | id="_x0000_i1029" src="CFSingleCrystal_files/image014.jpg"></span></p> |
|---|
| 1299 | |
|---|
| 1300 | <p class=MsoNormal>Now go to the <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b> |
|---|
| 1301 | tab. If you look carefully, you can see that the atoms in each SS-<span |
|---|
| 1302 | class=SpellE>dipyridyl</span> are grouped together in the table but they are |
|---|
| 1303 | not in chemically sensible order. The atoms can be reordered by selecting one |
|---|
| 1304 | row with the <b><span style='font-family:"Calibri",sans-serif'>Alt</span></b> |
|---|
| 1305 | key down (the status line will tell which atom is selected to move) and then |
|---|
| 1306 | with the <b><span style='font-family:"Calibri",sans-serif'>Alt</span></b> key |
|---|
| 1307 | still down pick a row below where you want to insert it. I ordered them so each |
|---|
| 1308 | S-atom was followed by the C-atoms in order around the ring; my list looked |
|---|
| 1309 | like (I show just the 1<sup>st</sup> SS <span class=SpellE>dipyridyl</span> |
|---|
| 1310 | molecule)</p> |
|---|
| 1311 | |
|---|
| 1312 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=408 |
|---|
| 1313 | id="_x0000_i1028" src="CFSingleCrystal_files/image015.png"></span></p> |
|---|
| 1314 | |
|---|
| 1315 | <p class=MsoNormal>Once you have reordered the atoms to your satisfaction they |
|---|
| 1316 | can be renamed to be in order. To do this select all the atoms (double LB click |
|---|
| 1317 | the empty corner box) and then do <b><span style='font-family:"Calibri",sans-serif'>Edit/Modify |
|---|
| 1318 | atom parameters</span></b>. Select <b><span style='font-family:"Calibri",sans-serif'>Name</span></b> |
|---|
| 1319 | and press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>; |
|---|
| 1320 | press <b><span style='font-family:"Calibri",sans-serif'>Yes</span></b> to the |
|---|
| 1321 | popup question. The atoms will be renamed in numerical order. Do <b><span |
|---|
| 1322 | style='font-family:"Calibri",sans-serif'>Edit/Reload draw atoms</span></b>; the |
|---|
| 1323 | labels will change. In my numbering scheme, half of the C3, C7, C10, C14, C17, |
|---|
| 1324 | C21, C24 and C28 carbon atoms are really nitrogen (if they are ordered). Select |
|---|
| 1325 | these and do <b><span style='font-family:"Calibri",sans-serif'>Edit/Set atom |
|---|
| 1326 | refinement flags</span></b>; select <b><span style='font-family:"Calibri",sans-serif'>F</span></b>, |
|---|
| 1327 | <b><span style='font-family:"Calibri",sans-serif'>X</span></b> & <b><span |
|---|
| 1328 | style='font-family:"Calibri",sans-serif'>U</span></b> for these. Do <b><span |
|---|
| 1329 | style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; the <span |
|---|
| 1330 | class=SpellE>Rw</span> will drop to ~10% and 4 of the atom <span class=SpellE><b><span |
|---|
| 1331 | style='font-family:"Calibri",sans-serif'>frac</span></b></span> values will be |
|---|
| 1332 | ~1.25 while the others are ~1.0. The former are N-atoms and the latter are |
|---|
| 1333 | C-atoms. Change the <b><span style='font-family:"Calibri",sans-serif'>Type</span></b> |
|---|
| 1334 | for the N-atoms and repeat <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; |
|---|
| 1335 | the <span class=SpellE>Rw</span> will be high to start, but immediately fall to |
|---|
| 1336 | ~10%. In the Atom table all 8 refined <span class=SpellE>frac</span> values are |
|---|
| 1337 | be now ~1.0. To finish this part of the refinement, set all <span class=SpellE><b><span |
|---|
| 1338 | style='font-family:"Calibri",sans-serif'>frac</span></b></span> values to <b><span |
|---|
| 1339 | style='font-family:"Calibri",sans-serif'>1.0</span></b> and all refine flags to |
|---|
| 1340 | <b><span style='font-family:"Calibri",sans-serif'>XU</span></b>. Do <b><span |
|---|
| 1341 | style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; the final |
|---|
| 1342 | <span class=SpellE>Rw</span> ~10.5%</p> |
|---|
| 1343 | |
|---|
| 1344 | <h2><span style='mso-fareast-font-family:"Times New Roman"'>Step 8. Anisotropic |
|---|
| 1345 | thermal motion refinement<o:p></o:p></span></h2> |
|---|
| 1346 | |
|---|
| 1347 | <p class=MsoNormal>Given reasonable measured structure factors one can improve |
|---|
| 1348 | a crystal model by using anisotropic thermal motion models for all the <span |
|---|
| 1349 | class=SpellE>nonhydrogen</span> atoms. To convert all the atoms here select the |
|---|
| 1350 | Atoms tab and then do a double LB click on the I/A column heading. Select |
|---|
| 1351 | Anisotropic from the popup and press OK; the Atom table will be redrawn with <span |
|---|
| 1352 | class=SpellE>Uij</span> values equivalent to the corresponding <span |
|---|
| 1353 | class=SpellE>Uiso</span> (now hidden). Do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; |
|---|
| 1354 | the final <span class=SpellE>Rw</span> ~8.2%</p> |
|---|
| 1355 | |
|---|
| 1356 | <h2 style='page-break-after:avoid'><span style='mso-fareast-font-family:"Times New Roman"'>Step |
|---|
| 1357 | 9. H-atom placement & final refinement<o:p></o:p></span></h2> |
|---|
| 1358 | |
|---|
| 1359 | <p class=MsoNormal>This structure can be completed by adding the 4 H-atoms per pyridine |
|---|
| 1360 | ring (16 in all). One could do this (painfully) by hand by looking for them in <span |
|---|
| 1361 | style='font-family:Symbol'>D</span>F maps, but it is simpler to just place them |
|---|
| 1362 | knowing the bonding chemistry of the rings. To start <span class=GramE>this</span> |
|---|
| 1363 | select the <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b> |
|---|
| 1364 | tab for the phase. Then select the C-atoms by a double LB click on the <b><span |
|---|
| 1365 | style='font-family:"Calibri",sans-serif'>Type</span></b> column heading and |
|---|
| 1366 | select <b><span style='font-family:"Calibri",sans-serif'>C</span></b> from the |
|---|
| 1367 | popup; press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. |
|---|
| 1368 | The C-atoms will be highlighted. Next do <b><span style='font-family:"Calibri",sans-serif'>Edit/Insert |
|---|
| 1369 | H atoms</span></b>; a <b><span style='font-family:"Calibri",sans-serif'>Distance |
|---|
| 1370 | Angle Controls</span></b> popup will appear; the numbers should be as before. |
|---|
| 1371 | Press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>; a new |
|---|
| 1372 | popup will appear</p> |
|---|
| 1373 | |
|---|
| 1374 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=400 height=485 |
|---|
| 1375 | id="_x0000_i1027" src="CFSingleCrystal_files/image016.png"></span></p> |
|---|
| 1376 | |
|---|
| 1377 | <p class=MsoNormal>This is the hydrogen add control; it shows both the expected |
|---|
| 1378 | number of H-atoms to add to each C-atom and the neighboring atoms used to |
|---|
| 1379 | determine the geometry of the C-H bond. Check to make sure that 4 H-atoms will |
|---|
| 1380 | be added for each ring. Note that C2, C9, C16 & C23 will not have an H-atom |
|---|
| 1381 | added as these are the S-atom attachment points in SS-<span class=SpellE>dipyridyl</span>. |
|---|
| 1382 | Press <b><span style='font-family:"Calibri",sans-serif'>Ok</span></b>; the |
|---|
| 1383 | H-atoms will be inserted immediately after the corresponding C-atoms and the |
|---|
| 1384 | drawing is updated showing van der Waals spheres for all atoms.</p> |
|---|
| 1385 | |
|---|
| 1386 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=396 |
|---|
| 1387 | id="_x0000_i1026" src="CFSingleCrystal_files/image017.png"></span></p> |
|---|
| 1388 | |
|---|
| 1389 | <p class=MsoNormal> </p> |
|---|
| 1390 | |
|---|
| 1391 | <p class=MsoNormal><span style='mso-no-proof:yes'><img width=483 height=394 |
|---|
| 1392 | id="_x0000_i1025" src="CFSingleCrystal_files/image018.jpg"></span></p> |
|---|
| 1393 | |
|---|
| 1394 | <p class=MsoNormal>Next, do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; |
|---|
| 1395 | there will be an immediate drop in <span class=SpellE>Rw</span> ~3.2%. Note |
|---|
| 1396 | that we did not refine the H-atom positions or thermal parameters. The H-atom |
|---|
| 1397 | insertion process retains the mechanisms for creating them in the first place |
|---|
| 1398 | and these tools can be used to move them to reflect the changes in the C-atom |
|---|
| 1399 | parameters thus forcing them to ride on the C-atoms. Do <b><span |
|---|
| 1400 | style='font-family:"Calibri",sans-serif'>Edit/Update H atoms</span></b>; the |
|---|
| 1401 | H-atom positions & <span class=SpellE>Uisos</span> will be revised. Repeat <b><span |
|---|
| 1402 | style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b>; there |
|---|
| 1403 | will be a slight improvement in <span class=SpellE>Rw</span>. Repeat these two |
|---|
| 1404 | steps (twice); <span class=SpellE>Rw</span> should not change on the last |
|---|
| 1405 | round. This completes the refinement of the SS-<span class=SpellE>dipyridyl</span> |
|---|
| 1406 | structure. You can generate a final <span style='font-family:Symbol'>D</span>F |
|---|
| 1407 | map from the <b><span style='font-family:"Calibri",sans-serif'>General</span></b> |
|---|
| 1408 | tab; in <b><span style='font-family:"Calibri",sans-serif'>Fourier map controls</span></b> |
|---|
| 1409 | select the <b><span style='font-family:"Calibri",sans-serif'>Map type</span></b> |
|---|
| 1410 | and <b><span style='font-family:"Calibri",sans-serif'>Reflection sets</span></b>, |
|---|
| 1411 | then do <b><span style='font-family:"Calibri",sans-serif'>Compute/Fourier map</span></b>. |
|---|
| 1412 | The <span style='font-family:Symbol'>r</span><sub>max</sub> (=0.33) and <span |
|---|
| 1413 | style='font-family:Symbol'>r</span><sub>min</sub> (=-0.31) are listed on the |
|---|
| 1414 | console; these seem to be concentrated around the S-atoms.</p> |
|---|
| 1415 | |
|---|
| 1416 | </div> |
|---|
| 1417 | |
|---|
| 1418 | </body> |
|---|
| 1419 | |
|---|
| 1420 | </html> |
|---|
