Changeset 1717

Timestamp:

Mar 16, 2015 4:10:20 PM (8 years ago)

Author:

vondreele

Message:

update the sucrose images

Location:

Tutorials/CFsucrose

Files:

• Charge Flipping - sucrose.htm (modified) (90 diffs)
• Charge Flipping - sucrose_files/filelist.xml (modified) (2 diffs)
• Charge Flipping - sucrose_files/image013.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image015.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image018.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image020.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image024.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image027.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image034.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image036.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image038.jpg (modified) (previous)
• Charge Flipping - sucrose_files/image040.jpg (modified) (previous)

Tutorials/CFsucrose/Charge Flipping - sucrose.htm

@@ -8 +8 @@
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 <meta name=ProgId content=Word.Document>
-<meta name=Generator content="Microsoft Word 14">
-<meta name=Originator content="Microsoft Word 14">
+<meta name=Generator content="Microsoft Word 15">
+<meta name=Originator content="Microsoft Word 15">
 <link rel=File-List href="Charge%20Flipping%20-%20sucrose_files/filelist.xml">
 <link rel=Edit-Time-Data
@@ -24 +24 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>3</o:Revision>
-  <o:TotalTime>1434</o:TotalTime>
-  <o:Created>2014-07-21T14:45:00Z</o:Created>
-  <o:LastSaved>2014-07-23T17:43:00Z</o:LastSaved>
-  <o:Pages>17</o:Pages>
-  <o:Words>3469</o:Words>
-  <o:Characters>19775</o:Characters>
+  <o:Revision>2</o:Revision>
+  <o:TotalTime>1435</o:TotalTime>
+  <o:Created>2015-03-16T21:09:00Z</o:Created>
+  <o:LastSaved>2015-03-16T21:09:00Z</o:LastSaved>
+  <o:Pages>1</o:Pages>
+  <o:Words>3473</o:Words>
+  <o:Characters>19801</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>164</o:Lines>
+  <o:Lines>165</o:Lines>
   <o:Paragraphs>46</o:Paragraphs>
-  <o:CharactersWithSpaces>23198</o:CharactersWithSpaces>
-  <o:Version>14.00</o:Version>
+  <o:CharactersWithSpaces>23228</o:CharactersWithSpaces>
+  <o:Version>15.00</o:Version>
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@@ -46 +46 @@
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+  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
+   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="table of figures"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="envelope address"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="envelope return"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="footnote reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="annotation reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="line number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="page number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="endnote reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="endnote text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="table of authorities"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="macro"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="toa heading"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 5"/>
+  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Closing"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Signature"/>
+  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
+   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Message Header"/>
+  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Salutation"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Date"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text First Indent"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text First Indent 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Note Heading"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Block Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Hyperlink"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="FollowedHyperlink"/>
+  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
+  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Document Map"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Plain Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="E-mail Signature"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Top of Form"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Bottom of Form"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Normal (Web)"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Acronym"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Address"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Cite"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Code"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Definition"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Keyboard"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Preformatted"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Sample"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Typewriter"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Variable"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Normal Table"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="annotation subject"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="No List"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 6"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 7"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 8"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 6"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 7"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 8"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Contemporary"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Elegant"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Professional"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Subtle 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Subtle 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Balloon Text"/>
+  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Theme"/>
+  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
+  <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
+  <w:LsdException Locked="false" Priority="34" QFormat="true"
+   Name="List Paragraph"/>
+  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
+  <w:LsdException Locked="false" Priority="30" QFormat="true"
+   Name="Intense Quote"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
+  <w:LsdException Locked="false" Priority="19" QFormat="true"
+   Name="Subtle Emphasis"/>
+  <w:LsdException Locked="false" Priority="21" QFormat="true"
+   Name="Intense Emphasis"/>
+  <w:LsdException Locked="false" Priority="31" QFormat="true"
+   Name="Subtle Reference"/>
+  <w:LsdException Locked="false" Priority="32" QFormat="true"
+   Name="Intense Reference"/>
+  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
+  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
+   UnhideWhenUsed="true" Name="Bibliography"/>
+  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
+   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
+  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
+  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
+  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
+  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
+  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
+  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
+  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
+  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
+  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 1"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 2"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 3"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 4"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 5"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 6"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
+  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
+  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 1"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 2"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 3"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 4"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 5"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 6"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 6"/>
  </w:LatentStyles>
 </xml><![endif]-->
@@ -346 +656 @@
  /* Font Definitions */
  @font-face
+        {font-family:"Cambria Math";
+        panose-1:2 4 5 3 5 4 6 3 2 4;
+        mso-font-charset:1;
+        mso-generic-font-family:roman;
+        mso-font-format:other;
+        mso-font-pitch:variable;
+        mso-font-signature:0 0 0 0 0 0;}
+@font-face
         {font-family:Calibri;
         panose-1:2 15 5 2 2 2 4 3 2 4;
@@ -368 +686 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -383 +701 @@
         mso-outline-level:1;
         font-size:24.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -398 +716 @@
         mso-outline-level:2;
         font-size:18.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -422 +740 @@
         mso-pagination:widow-orphan;
         font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -436 +754 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -447 +765 @@
         mso-ansi-font-size:24.0pt;
         mso-bidi-font-size:24.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -464 +782 @@
         mso-ansi-font-size:18.0pt;
         mso-bidi-font-size:18.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -480 +798 @@
         mso-ansi-font-size:8.0pt;
         mso-bidi-font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-ascii-font-family:Tahoma;
         mso-fareast-font-family:"Times New Roman";
@@ -486 +804 @@
         mso-hansi-font-family:Tahoma;
         mso-bidi-font-family:Tahoma;}
-span.SpellE
-        {mso-style-name:"";
-        mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -917 +1229 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-bidi-font-family:"Times New Roman";
         mso-bidi-theme-font:minor-bidi;}
@@ -946 +1258 @@
 
 <p class=MsoNormal>If you have not done so already, <a
-href="Starting%20GSAS.htm">start GSAS-II</a> and open the GSAS-II project file
-(I called it <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>sucrose.gpx</span></b></span>) you saved from
-the third part of the <a href="Fit%20Peaks.htm#sucrose_peak_fit">peak
+href="../../../GSASII/help/Starting%20GSAS.htm">start GSAS-II</a> and open the
+GSAS-II project file (I called it <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>sucrose.gpx</span></b>) you saved from the
+third part of the <a
+href="../../../GSASII/help/Fit%20Peaks.htm#sucrose_peak_fit">peak
 fitting-indexing exercise</a>. If you didn’t do that exercise, do it now.</p>
 
@@ -963 +1276 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Limits</span></b>
 in the GSAS-II data tree for the PWDR data set and expand the plot so that the
@@ -971 +1284 @@
 symbol;mso-symbol-font-family:Symbol'>Q</span></span>. There is an area
 relatively clear of peaks that makes a good place to end the calculations with
-a reflection set of <span class=SpellE>d<sub>min</sub></span> ~1Å resolution
-needed for charge flipping. Enter <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>23.55</span></b> for <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Tmax</span></b></span>
+a reflection set of d<sub>min</sub> ~1Å resolution needed for charge flipping.
+Enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>23.55</span></b>
+for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Tmax</span></b>
 as the upper limit and make a note of the exact d-spacing (1.0125Å) using the
 mouse cursor on the plot.</p>
@@ -983 +1295 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
 Parameters</span></b> and uncheck all <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Refine</span></b> flags and do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Reset
 profile</span></b> to recover the default values. The peak fitting done earlier
@@ -1001 +1313 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample
 Parameters</span></b> and uncheck refinement of <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>.
 While you are here set <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>.</p>
 
@@ -1015 +1327 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
-to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>
 to find the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Pawley controls</span></b>. Check the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Do Pawley refinement</span></b>
 box and enter the d-spacing (<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>1.0125</span></b>) into the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley <span
-class=SpellE>dmin</span></span></b> box.</p>
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley dmin</span></b>
+box.</p>
 
 <p class=MsoNormal>When done the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>General</span></b> tab should look like</p>
 
@@ -1060 +1372 @@
 
 <p class=MsoNormal>Next find the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Data</span></b> tab; it will be empty except
 for a single line of text. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/Add powder histograms</span></b>; a
 dialog box will appear</p>
@@ -1076 +1388 @@
 <p class=MsoNormal>Select either choice; the desired data set will be added to
 this phase for analysis. The data tab now shows the new data set; check the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Show</span></b>
 button to see the full information</p>
@@ -1089 +1401 @@
 <p class=MsoNormal>I’ve stretched the window slightly to see the entire
 contents. This is the location for all the phase dependent parameters for this
-histogram. Notice that it includes phase fraction, size &amp; <span
-class=SpellE>mustrain</span> as well as preferred orientation, elastic strain
-and extinction corrections. The <span class=SpellE>Babinet</span> correction is
-intended for protein work where a significant region of the structure is
-disordered solvent. There are buttons for plotting size and <span class=SpellE>mustrain</span>
-surfaces</p>
-
-<p class=MsoNormal><span class=GramE>as</span> well as preferred orientation
-correction curves.</p>
+histogram. Notice that it includes phase fraction, size &amp; mustrain as well
+as preferred orientation, elastic strain and extinction corrections. The
+Babinet correction is intended for protein work where a significant region of
+the structure is disordered solvent. There are buttons for plotting size and
+mustrain surfaces</p>
+
+<p class=MsoNormal>as well as preferred orientation correction curves.</p>
 
 <p class=MsoNormal>Next find the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Pawley reflections</span></b> tab; it will be
-empty except for column headings. <span class=GramE>Do</span> <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Pawley
-create</span></b>; this makes the reflection set over the range covered by
-setting <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley <span
-class=SpellE>dmin</span></span></b>. The table should list reflections 0-781.
-Select and check the refine column using the same technique you used for the
-peak list. </p>
+empty except for column headings. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Operations/Pawley create</span></b>; this
+makes the reflection set over the range covered by setting <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Pawley dmin</span></b>. The table
+should list reflections 0-781. Select and check the refine column using the
+same technique you used for the peak list. </p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1125 +1434 @@
 
 <p class=MsoNormal>To start the refinement, do <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> on
 the main GSAS-II data tree window. Before it begins a backup of the project
 file is made; the name will be <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>sucrose.bck0.gpx</span></b>. It can be used
 to recover from a bad refinement. A progress dialog box will appear showing the
@@ -1136 +1445 @@
 the refinement because it was off the end of the used part of the pattern. This
 is the GSAS-II singular matrix recovery mechanism; you can go to the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley
 reflections</span></b> tab and uncheck the last reflection. Then repeat <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>
-to make sure it has essentially minimized. My refinement completed with <span
-class=SpellE>Rwp</span> ~26.3%; a dialog box appears asking if you wish to load
-the result. Press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>OK</span></b>. To see the plot select the
-PWDR line in the GSAS-II data tree (I’ve adjusted the width and height).</p>
+to make sure it has essentially minimized. My refinement completed with Rwp
+~26.3%; a dialog box appears asking if you wish to load the result. Press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
+To see the plot select the PWDR line in the GSAS-II data tree (I’ve adjusted
+the width and height).</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1158 +1467 @@
 can be had by refining the lattice and profile parameters and perhaps the
 sample X position. Go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> in the GSAS-II data
 tree and check the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Refine unit cell</span></b> box. Now select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
 parameters</span></b> for the PWDR data set in the GSAS-II data tree and check <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U</span></b>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>V</span></b>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>W</span></b>,<b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
-class=GramE>X</span> </span></b>&amp;<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'> Y</span></b>. The go to <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Sample Parameters</span></b> and
-check <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X <span
-class=SpellE>displ</span></span></b>.; make the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>
-if you didn’t do this earlier. Repeat <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>until converged;
-I obtained an improved residual of ~9.05% with a much better fit at the high
-angle part of the pattern but still not fit well for the lower part.</p>
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> X </span></b>&amp;<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Y</span></b>.
+The go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample
+Parameters</span></b> and check <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Sample X displ</span></b>.; make the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Goniometer
+radius</span></b> <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>1000</span></b> if you didn’t do this earlier.
+Repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine
+</span></b>until converged; I obtained an improved residual of ~9.05% with a
+much better fit at the high angle part of the pattern but still not fit well
+for the lower part.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1202 +1511 @@
 diffuse scattering feature at ~5deg and there are some peak shape issues (which
 may be a consequence of the poor background fit). We’d like the fit to be
-better before trying charge flipping. First select <span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>,</span>
-set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+better before trying charge flipping. First select <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>, set <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peaks in
 background: No. peaks</span></b> to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>1</span></b> from the pull down box; the
 window changes to </p>
@@ -1221 +1530 @@
 
 <p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>5.0</span></b> for <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>pos</span></b></span>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>5.0</span></b> for <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>pos</span></b>, <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100000</span></b>
-for <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>int</span></b></span> and <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>int</span></b>
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>
-for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>sig</span></b>
 (as appropriate for broad diffuse peaks) and then check all three refine boxes.
-Also set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>No. <span
-class=SpellE>coeff</span>.</span></b> <span class=SpellE><span class=GramE>pulldown</span></span>
-to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>5</span></b>
-for the <span class=SpellE>chebyschev</span> part of the background. The window
+Also set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>No. coeff.</span></b>
+pulldown to <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>5</span></b> for the chebyschev part of the background. The window
 should look like</p>
 
@@ -1251 +1558 @@
 
 <p class=MsoNormal>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Controls</span></b> item in the GSAS-II data
 tree and set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Max cycles</span></b> to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>5</span></b>. Now do <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> until
 the refinement converges. After a set of refinement cycles go to the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley reflections</span></b>
-tab and check the intensities. If there are many negatives amongst the highest
-angle reflections do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Pawley update</span></b>, this replaces all
-the values with those in the extracted from the profile as listed in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley
+reflections</span></b> tab and check the intensities. If there are many
+negatives amongst the highest angle reflections do <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Pawley update</span></b>, this
+replaces all the values with those in the extracted from the profile as listed
+in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reflection
 list</span></b> for the PWDR data set each multiplied by 0.5. Additionally
 their refinement flags are turned off. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>; this will adjust all the reflections in the
 vicinity of the reset ones</span>. You may repeat this process to suppress any
 new negatives that may appear. Then set all the Pawley refinement flags back on
 (excluding any that lead to a singular matrix) and repeat the refinement. After
-refinement, mine converged to ~5.7% with very few negatives and <span
-class=SpellE>and</span> the plot looked like</p>
+refinement, mine converged to ~5.7% with very few negatives and and the plot
+looked like</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1294 +1601 @@
 
 <p class=MsoNormal>A few steps are needed to set up for a charge flipping run.
-Go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+Go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>
 and notice the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Charge flip controls</span></b> in the middle of the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
 tab.</p>
@@ -1307 +1614 @@
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Reflection set from</span></b> to be <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>PWDR
 11bmb_8716.fxye Bank 1</span></b> (the only choice!). This makes the reflection
 set to be used those in <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Reflection Lists</span></b> under the PWDR
 data set; these should match the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Pawley reflection</span></b> set.</p>
 
@@ -1323 +1630 @@
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Set the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Peak cutoff</span></b> (in <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Fourier map
 controls</span></b>) to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>20%</span></b>. This controls the map search
 routine.</p>
 
 <p class=MsoNormal>For powder data it is not usually advisable to select a <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Normalizing
 element</span></b>; if selected a periodic table appears – select an element or
-‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>None’</span></b>.
-The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Resolution</span></b>
 defines the map spacing and thus the extent of the reflection set; the observed
 reflection set is zero filled to this limit for charge flipping. The <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>k-factor</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>k-Max</span></b>
-determine the lower threshold and upper limit for charge flipping,
-respectively. The latter is used to avoid “Uranium solutions” in the result.
-Set this to <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>10-12</span></b> for equal atom problems and larger for heavy atom
-ones. For sucrose set it to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>12.</span></b> When ready select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+determine the lower threshold and upper limit for charge flipping, respectively.
+The latter is used to avoid “Uranium solutions” in the result. Set this to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10-12</span></b>
+for equal atom problems and larger for heavy atom ones. For sucrose set it to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>12.</span></b>
+When ready select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Compute/Charge flipping</span></b>; a
+progress bar dialog will appear that tracks the residual found in each charge
+flipping cycle. It will quickly drop to some level (42-44%) and then for a
+successful charge flipping run perhaps drop again into the 20-25% range after a
+considerable length of time. You should save the project if you get an
+apparently good solution. Many times it will not drop below ~40%; just try <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Charge
-flipping</span></b>; a progress bar dialog will appear that tracks the residual
-found in each charge flipping cycle. It will quickly drop to some level
-(42-44%) and then for a successful charge flipping run perhaps drop again into
-the 20-25% range after a considerable length of time. You should save the
-project if you get an apparently good solution. Many times it will not drop
-below ~40%; just try <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Compute/Charge flipping</span></b> again. If
-several tries fail to yield a solution, go back to the last step of the Pawley
-refinement and just repeat it (that is do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Pawley update</span></b> and <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>).
-This will generate a different set of intensities for the highly overlapped
-part of the powder pattern; perhaps they will give a successful charge flip
-solution. Unless otherwise interrupted, GSAS-II will try 10000 times for a
-charge flip solution (for sucrose this takes 5-10min on my laptop). Press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Cancel</span></b>
-to stop the charge flipping; a peak list and a drawing of the solution will
-appear. One of my runs gave</p>
+flipping</span></b> again. If several tries fail to yield a solution, go back
+to the last step of the Pawley refinement and just repeat it (that is do <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley
+update</span></b> and <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>). This will
+generate a different set of intensities for the highly overlapped part of the
+powder pattern; perhaps they will give a successful charge flip solution.
+Unless otherwise interrupted, GSAS-II will try 10000 times for a charge flip solution
+(for sucrose this takes 5-10min on my laptop). Press <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Cancel</span></b> to stop the
+charge flipping; a peak list and a drawing of the solution will appear. One of
+my runs gave</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1489 +1796 @@
 position:absolute;z-index:251662336;margin-left:315px;margin-top:308px;
 width:16px;height:35px'><img width=16 height=35
-src="Charge%20Flipping%20-%20sucrose_files/image052.png" v:shapes="Group_x0020_39 Arc_x0020_37 Arc_x0020_38"></span><![endif]><span
+src="Charge%20Flipping%20-%20sucrose_files/image011.png" v:shapes="Group_x0020_39 Arc_x0020_37 Arc_x0020_38"></span><![endif]><span
 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32"
  o:spid="_x0000_i1054" type="#_x0000_t75" style='width:502.5pt;height:431.25pt;
@@ -1496 +1803 @@
   croptop="3005f" cropbottom="25112f" cropleft="36677f" cropright="13798f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=670 height=575
-src="Charge%20Flipping%20-%20sucrose_files/image053.jpg" v:shapes="Picture_x0020_32"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image013.jpg" v:shapes="Picture_x0020_32"><![endif]></span></p>
 
 <p class=MsoNormal>The result looks very promising! Charge flipping operates
@@ -1503 +1810 @@
 flipping also will give a solution without regard to handedness; this solution
 may be either the correct one for sucrose or its inverse.) Errors in these
-phases can disrupt this process so that the map and peak positions are offset
-from their true positions. To discover this and fix it, rotate the drawing
-around to check that atom positions are related via the 2<sub>1</sub> screw
-axis (through the multicolored cross in the center of the cell and parallel to
-the y-axis – the green cell edge). Avoid motions with the right mouse button
-pressed, this moves the cross. To recover, press the ‘<b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>C</span></b>’ key to reset the
-cross to the cell center. I’ve placed the symbol for a 2<sub>1</sub> axis on my
-drawing above to show where I think it should be. If you find an offset to the
-map, orient it so the offset is horizontal or vertical and then press the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+phases can disrupt this process so that the map and peak positions are offset from
+their true positions. To discover this and fix it, rotate the drawing around to
+check that atom positions are related via the 2<sub>1</sub> screw axis (through
+the multicolored cross in the center of the cell and parallel to the y-axis –
+the green cell edge). Avoid motions with the right mouse button pressed, this
+moves the cross. To recover, press the ‘<b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>C</span></b>’ key to reset the cross to the
+cell center. I’ve placed the symbol for a 2<sub>1</sub> axis on my drawing
+above to show where I think it should be. If you find an offset to the map,
+orient it so the offset is horizontal or vertical and then press the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>L</span></b>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>R</span></b>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U</span></b>
-or <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+or <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>D</span></b>
 keys to shift the map and peaks as needed. The shift is in resolution units
@@ -1536 +1843 @@
   croptop="635f" cropbottom="27738f" cropleft="37732f" cropright="12675f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=667 height=566
-src="Charge%20Flipping%20-%20sucrose_files/image054.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image015.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
 
 <h2>Step 4: Obtain solution from charge flip result</h2>
@@ -1543 +1850 @@
 the map and make atoms out of them. The map peak list is initially sorted by
 peak magnitude; you can change the sorting to be along any of the column
-headings in the table by a single click on the desired heading. The <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>dzero</span></b></span> column gives the distance of each peak from
-the origin. The menu items under Map peaks give you several tools to aid in the
-peak selection process; we will just use a couple in this example. I have
-chosen to proceed by sorting the atoms by <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>z</span></b>, selecting all and then finding
-the unique ones. </p>
+headings in the table by a single click on the desired heading. The <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>dzero</span></b>
+column gives the distance of each peak from the origin. The menu items under
+Map peaks give you several tools to aid in the peak selection process; we will
+just use a couple in this example. I have chosen to proceed by sorting the
+atoms by <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>z</span></b>,
+selecting all and then finding the unique ones. </p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -1558 +1864 @@
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do a single click on the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>z</span></b> column heading. This
 will sort the peaks in increasing z-axis coordinate.</p>
@@ -1572 +1878 @@
 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Map peaks/Unique peaks</span></b>. That should
-select (grey) 23 out of 46 peak positions in the table and all should be near
-the top of the list. Given the formula for sucrose is C<sub>12</sub>H<sub>22</sub>O<sub>11</sub>
-that would be all the C &amp; O atoms! They will be colored green in the plot.
-If more are selected then check the map offset – it may need a slight
-correction.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Map peaks/Unique peaks</span></b>. That
+should select (grey) 23 out of 46 peak positions in the table and all should be
+near the top of the list. Given the formula for sucrose is C<sub>12</sub>H<sub>22</sub>O<sub>11</sub>
+that would be all the C &amp; O atoms! They will be colored green in the plot. If
+more are selected then check the map offset – it may need a slight correction.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1595 +1900 @@
   croptop="610f" cropbottom="27878f" cropleft="37728f" cropright="12806f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=572
-src="Charge%20Flipping%20-%20sucrose_files/image055.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image018.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
 
 <p class=MsoNormal>Notice that in my case one atom is in a neighboring
 molecule, one can deselect it and then pick the desired equivalent. Hold the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Shift</span></b>
 key down and use the right mouse button to pick/unpick atoms in the drawing.
@@ -1607 +1912 @@
 
 <p class=MsoNormal>These are now ready to turn into atoms. Do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map
 peaks/Move peaks</span></b>. The drawing will show white balls for each of the
 selected positions and the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Atoms</span></b> table will now have 23 new H
 atoms. </p>
@@ -1621 +1926 @@
   croptop="735f" cropbottom="27738f" cropleft="37833f" cropright="12817f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=578
-src="Charge%20Flipping%20-%20sucrose_files/image056.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image020.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1632 +1937 @@
 <p class=MsoNormal>The atom names indicate the peak magnitude to aid
 identification (M100 for the largest in the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Map peaks</span></b> table which
 may not be one of those moved to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Atoms</span></b> table). You can hand sort
 them by selecting a row with the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Alt</span></b> key (or <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Shift/Ctrl</span></b> keys) down
 and then selecting a position in the table with the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Alt</span></b> key still down. On
 Linux machines the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Alt</span></b> key may have been hijacked by
 the operating system; use <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Shift/Ctrl</span></b> instead to move atoms. After
-sorting by magnitude, my list is now </p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Shift/Ctrl</span></b> instead to move atoms.
+After sorting by magnitude, my list is now </p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1665 +1970 @@
 of ambiguity in the middle, but just assign the top 11 as O and the rest as C
 and see what happens. You can do this by selecting a block of atoms, go to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Modify
 atom parameters</span></b> and select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Type</span></b> from the dialog box; a
-periodic table will appear. Select the desired element and they will be changed
-in the list and drawing.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Type</span></b> from the dialog box; a periodic
+table will appear. Select the desired element and they will be changed in the
+list and drawing.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1679 +1984 @@
   croptop="4281f" cropbottom="26429f" cropleft="44874f" cropright="5786f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=541
-src="Charge%20Flipping%20-%20sucrose_files/image057.jpg" v:shapes="Picture_x0020_18"><![endif]></span></p>
-
-<p class=MsoNormal>The original charge flipping solution is still visible and
-the atoms are now identified, I’ve changed the drawing to show balls and sticks
-and labeled the atoms with their names, this is done in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw atoms</span></b>
-tab. Double click the appropriate column heading and make the selection from
-the dialog box.<span style='mso-spacerun:yes'>  </span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image024.jpg" v:shapes="Picture_x0020_18"><![endif]></span></p>
+
+<p class=MsoNormal>The original charge flipping solution is still visible and the
+atoms are now identified, I’ve changed the drawing to show balls and sticks and
+labeled the atoms with their names, this is done in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Draw atoms</span></b> tab. Double
+click the appropriate column heading and make the selection from the dialog
+box.<span style='mso-spacerun:yes'>  </span></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1697 +2002 @@
 
 <p class=MsoNormal>Now one can safely remove the map peaks (do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map
 peaks/Clear peaks</span></b> in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Map peaks</span></b> tab) and clear the
-charge flip map (do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Clear</span></b></span><b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'> map</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+charge flip map (do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Clear map</span></b> in the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
 tab). The atom positions I obtained have two atoms (O3 &amp; O4) not connected
@@ -1717 +2020 @@
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> tab and select them
-(hold the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+(hold the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ctrl</span></b>
 key down and select the appropriate rows). </p>
@@ -1727 +2030 @@
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/Fill unit cell</span></b>; new atoms
 will appear at end of list and in the drawing. </p>
@@ -1735 +2038 @@
 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Select all the atoms in the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> table by a
 double click on upper left corner box of the table.</p>
@@ -1743 +2046 @@
 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/Fill CN-sphere</span></b>; new atoms
 will appear that are bonded to the molecule.</p>
@@ -1752 +2055 @@
 </span></span></span><![endif]>Select these new atoms that are in the molecule;
 they will probably be outside the unit cell box. Do this on the drawing with <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Shift left</span></b>
 for the first one &amp; <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Shift right</span></b> for the rest, they
 will show in green. </p>
@@ -1763 +2066 @@
 "Times New Roman"'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Look at the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> table for the
-selections and make note of the <span class=SpellE><b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Sym</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Op</span></b>
-for each one. In my case they were “<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>2+1<span class=GramE>,0,0</span></span></b>”
-for O(4) and “<b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>2+2,-1,1</span></b>” for O(3). The first number is the symmetry
-operator number and the 3 numbers after the ‘<b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>+</span></b>’ are unit cell
-translations.</p>
+selections and make note of the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Sym Op</span></b> for each one. In my case
+they were “<b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>2+1,0,0</span></b>” for O(4) and “<b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>2+2,-1,1</span></b>” for O(3).
+The first number is the symmetry operator number and the 3 numbers after the ‘<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>+</span></b>’
+are unit cell translations.</p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -1785 +2085 @@
 "Times New Roman"'><span style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Atoms</span></b> tab.</p>
 
@@ -1792 +2092 @@
 "Times New Roman"'><span style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Select an atom in turn that needs to be moved,
-e.g. in my case <span class=GramE>O(</span>3) or O(4). </p>
+e.g. in my case O(3) or O(4). </p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -1798 +2098 @@
 "Times New Roman"'><span style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Edit/Transform <span class=GramE>atoms<span
-style='font-family:"Times New Roman","serif";font-weight:normal'>,</span></span></span></b>
-select the operator and unit cell translations, then press <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Transform atoms</span></b>, select the
+operator and unit cell translations, then press <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>. The atom
 coordinates will be transformed.</p>
@@ -1813 +2112 @@
 
 <p class=MsoNormal style='margin-left:.5in'>This will complete the molecule
-with the extra atoms. <span class=GramE>Do</span> <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Reload draw atoms</span></b>
-to see the completed molecule. I’ve made it a balls &amp; sticks with names as
-labels.</p>
+with the extra atoms. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Reload draw atoms</span></b> to see the
+completed molecule. I’ve made it a balls &amp; sticks with names as labels.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1825 +2123 @@
   cropbottom="28348f" cropleft="41090f" cropright="9483f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=576
-src="Charge%20Flipping%20-%20sucrose_files/image058.jpg" v:shapes="Picture_x0020_20"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image027.jpg" v:shapes="Picture_x0020_20"><![endif]></span></p>
 
 <p class=MsoNormal>Save the project file; the next step is to complete the
-structure by finding H-atoms and then do the final <span class=SpellE>Rietveld</span>
-refinements.</p>
+structure by finding H-atoms and then do the final Rietveld refinements.</p>
 
 <h2>Step 5: Complete the structure</h2>
 
 <p class=MsoNormal>To complete the structure you will need to perform a
-preliminary <span class=SpellE>Rietveld</span> refinement. This will make the
-atom positions more accurate and prepare a set of calculated structure factors
-needed to generate a difference Fourier map good enough to maybe reveal the H
-atoms. There are a number of steps needed to set all the controls from the
-previous Pawley refinement to get a successful start for the <span
-class=SpellE>Rietveld</span> refinement.</p>
+preliminary Rietveld refinement. This will make the atom positions more
+accurate and prepare a set of calculated structure factors needed to generate a
+difference Fourier map good enough to maybe reveal the H atoms. There are a
+number of steps needed to set all the controls from the previous Pawley
+refinement to get a successful start for the Rietveld refinement.</p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -1845 +2141 @@
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> entry in the
 GSAS-II data tree and uncheck all <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Refine</span></b> boxes. You don’t want to
 start with these when the scale factor is unknown.</p>
@@ -1856 +2152 @@
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Sample Parameters</span></b> and check the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Histogram
 scale factor</span></b> box. This is the scale factor for the data set. Uncheck
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X <span
-class=SpellE>displ</span></span></b>.</p>
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X
+displ</span></b>.</p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -1869 +2165 @@
 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Phases/sucrose General</span></b> tab and
-uncheck <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+uncheck <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine unit
 cell</span></b> and <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Do Pawley refinement</span></b> boxes. The
 latter is most important; if you forget you will just get another Pawley
@@ -1880 +2176 @@
 
 <p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> from the main
-GSAS-II data tree menu; only scale and background are refined. I got <span
-class=GramE>a</span> <span class=SpellE>Rwp</span> ~20%. The plot shows clear
-intensity differences; the atom positions obviously need refinement.</p>
+GSAS-II data tree menu; only scale and background are refined. I got a Rwp
+~20%. The plot shows clear intensity differences; the atom positions obviously
+need refinement.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1897 +2193 @@
 
 <p class=MsoNormal>Go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> and select the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Atoms</span></b>
 tab. Note the warning at the bottom of the window; the origin in space group P2<sub>1</sub>
 has an arbitrary location along the y-axis. Then double click the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>refine</span></b>
 column heading, a dialog box will appear, select the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>X-coordinates</span></b> box and
-press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
 The atoms table will show the refinement controls</p>
@@ -1921 +2217 @@
 <p class=MsoNormal>To deal with the warning we need to set a “Hold” on one atom
 y-coordinate. Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Constraints</span></b> in the main GSAS-II
 data tree.</p>
@@ -1933 +2229 @@
 
 <p class=MsoNormal>Do an <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/Add hold</span></b> and select ‘<b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0:<span
-class=GramE>:dAy:0</span> for O(1)</span></b>’ from the dialog box. This will
-fix the shift along y for the <span class=GramE>O(</span>1) atom.</p>
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0::dAy:0 for
+O(1)</span></b>’ from the dialog box. This will fix the shift along y for the
+O(1) atom.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1948 +2244 @@
 
 <p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>OK</span></b>; the Constraints window will
 show the hold</p>
@@ -1960 +2256 @@
 
 <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>again; my <span
-class=SpellE>Rwp</span> is now ~10.3%. You can now safely refine lattice
-parameters (in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>General</span></b> tab for <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>again; my Rwp is
+now ~10.3%. You can now safely refine lattice parameters (in the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
+tab for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>),
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
 parameters</span></b> <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>V</span></b>, <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>W</span></b>,
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X</span></b>
-&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b>
-and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X <span
-class=SpellE>displ</span></span></b>. You can also include refinement of atom
-thermal motion (<span class=SpellE>U<sub>iso</sub></span>) parameters. My
-refinement improved slightly to Rwp~10.0%. Let’s see if a difference Fourier
-map will show anything.<br>
-Go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X
+displ</span></b>. You can also include refinement of atom thermal motion (U<sub>iso</sub>)
+parameters. My refinement improved slightly to Rwp~10.0%. Let’s see if a
+difference Fourier map will show anything.<br>
+Go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose
 General</span></b> tab; the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Fourier map controls</span></b> are midway
-down the window.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Fourier map controls</span></b> are midway down
+the window.</p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
 mso-list:l3 level1 lfo12'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select <span class=SpellE><b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>delt</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-F</span></b>
-for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+</span></span></span><![endif]>Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>delt-F</span></b> for the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map type</span></b>.</p>
 
@@ -2009 +2301 @@
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>PWDR 11bmb_8716.fxye Bank 1</span></b> for
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reflection
 set from</span></b> item (the only choice). The Fourier calculation will use
 the structure factors shown in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Reflection list</span></b> item for this PWDR
 data set.</p>
@@ -2023 +2315 @@
 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Compute/Fourier map</span></b> from the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
 tab window. The map will be computed via fast Fourier techniques and is very
@@ -2036 +2328 @@
 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Draw Options</span></b> tab and adjust the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Contour
 level</span></b> slider until something appears on the map. You can also reduce
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map radius</span></b>
 to help clarify the view.</p>
@@ -2051 +2343 @@
   croptop="1958f" cropbottom="26321f" cropleft="41054f" cropright="9779f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=670 height=581
-src="Charge%20Flipping%20-%20sucrose_files/image059.jpg" v:shapes="Picture_x0020_35"><![endif]></span></p>
-
-<p class=MsoNormal>What <span class=GramE>is</span> drawn here are green dots
-whose size are proportional to the electron density. There are peaks that might
-be H-atom positions as well as features that suggest C &amp; O-atoms out of
-position. Recall that the refinement was just done without any H-atoms; it will
-make the best fit compensating for the missing H-atoms by displacing the C
-&amp; O atoms in the direction of the missing H-atoms. </p>
+src="Charge%20Flipping%20-%20sucrose_files/image034.jpg" v:shapes="Picture_x0020_35"><![endif]></span></p>
+
+<p class=MsoNormal>What is drawn here are green dots whose size are
+proportional to the electron density. There are peaks that might be H-atom
+positions as well as features that suggest C &amp; O-atoms out of position.
+Recall that the refinement was just done without any H-atoms; it will make the
+best fit compensating for the missing H-atoms by displacing the C &amp; O atoms
+in the direction of the missing H-atoms. </p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -2064 +2356 @@
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Phases/<span class=GramE>sucrose<span
-style='mso-spacerun:yes'>  </span>Draw</span> Atoms</span></b> tab.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Phases/sucrose<span
+style='mso-spacerun:yes'>  </span>Draw Atoms</span></b> tab.</p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -2073 +2365 @@
 </span></span></span><![endif]>Select a C or O atom with possible H-atom
 density nearby. It will appear green. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/View point</span></b>; this will
 position the cross on the selected atom.</p>
@@ -2084 +2376 @@
 with the left mouse button and shift the cross with the right mouse button. You
 can zoom in using the roll wheel on the mouse (or else use the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Camera
 distance</span></b> slider in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Draw Options</span></b> tab if your mouse
 lacks a wheel).</p>
@@ -2097 +2389 @@
   croptop="1838f" cropbottom="26454f" cropleft="41090f" cropright="9589f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=581
-src="Charge%20Flipping%20-%20sucrose_files/image060.jpg" v:shapes="Picture_x0020_36"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image036.jpg" v:shapes="Picture_x0020_36"><![endif]></span></p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -2103 +2395 @@
 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Go to the Atoms tab and do <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Insert view point</span></b>,
 a white ball will appear at the selected position and an H-atom (name = <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>UNK</span></b>)
 will be appended to the end of the atom list. Repeat steps 1-4 for as many
@@ -2119 +2411 @@
   croptop="1151f" cropbottom="27433f" cropleft="41826f" cropright="8682f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=672 height=570
-src="Charge%20Flipping%20-%20sucrose_files/image061.jpg" v:shapes="Picture_x0020_38"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image038.jpg" v:shapes="Picture_x0020_38"><![endif]></span></p>
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
@@ -2125 +2417 @@
 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Change their <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Type</span></b> to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>H</span></b>,
 they will be renamed and make then all ball &amp; stick. Do a <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>;
-there should be a drop in <span class=SpellE>Rwp</span>. Then repeat the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Fourier
-map</span></b> in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>General</span></b> tab, adjust the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Contour
-level</span></b> and <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Map radius</span></b> as desired. Look for
-the remaining H-atoms; you may have to guess positions for some of them using
-known stereochemistry rules. My model looked like</p>
+there should be a drop in Rwp. Then repeat the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Fourier map</span></b> in
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
+tab, adjust the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Contour level</span></b> and <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Map radius</span></b> as desired. Look for the
+remaining H-atoms; you may have to guess positions for some of them using known
+stereochemistry rules. My model looked like</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2152 +2443 @@
   croptop="1524f" cropbottom="27738f" cropleft="41826f" cropright="8801f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=670 height=562
-src="Charge%20Flipping%20-%20sucrose_files/image062.jpg" v:shapes="Picture_x0020_39"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image040.jpg" v:shapes="Picture_x0020_39"><![endif]></span></p>
 
 <p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> to finish this
-stage in the structure analysis. My <span class=SpellE>Rwp</span> was ~8.02%
-with all the H-atoms included (but not refined). The fit looks pretty good</p>
+stage in the structure analysis. My Rwp was ~8.02% with all the H-atoms
+included (but not refined). The fit looks pretty good</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2171 +2462 @@
 <p class=MsoNormal>Looking at the fit, there may be room for improvement and
 we’d like to refine the H-atom positions. First we need to change the profile
-model to include crystallite size and <span class=SpellE>mustrain</span>
-broadening. Go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b>, set <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b>
-to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+model to include crystallite size and mustrain broadening. Go to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
+Parameters</span></b>, set <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>X</span></b> and <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b> to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>zero</span></b>
 and uncheck the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Refine</span></b> flags for them.</p>
 
 <p class=MsoNormal>Next go to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> and look at the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b>
 tab; make sure the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Show</span></b> box is checked. Check the
-boxes for both <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Cryst</span></b></span><b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>. <span class=GramE>size</span></span></b>
-and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>.</p>
+boxes for both <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Cryst. size</span></b> and <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>microstrain</span></b>.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2210 +2498 @@
 
 <p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the <span
-class=SpellE>Rwp</span> will start out high but should converge to where it was
-before this change. I got 8.08% and the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Data tab</span></b> looked like</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the Rwp will
+start out high but should converge to where it was before this change. I got
+8.08% and the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Data tab</span></b> looked like</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2225 +2513 @@
 
 <p class=MsoNormal>Next select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Generalized</span></b> for the <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Mustrain</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'> model</span></b>; this is the Stephens
-phenomenological model for <span class=SpellE>microstrain</span> which has 9
-terms for monoclinic structures. Check all the boxes for it.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Generalized</span></b> for the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Mustrain
+model</span></b>; this is the Stephens phenomenological model for microstrain
+which has 9 terms for monoclinic structures. Check all the boxes for it.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2243 +2528 @@
 
 <p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the <span
-class=SpellE>Rwp</span> will start out high but should converge lower than
-where it was before this change. I got 7.65% and the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Data tab</span></b> looked like.
-If you check the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Mustrain</span></b></span> button in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Select plot
-type</span></b> box, you will see the interesting <span class=SpellE>mustrain</span>
-surface plot for ground sucrose.</p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the Rwp will
+start out high but should converge lower than where it was before this change.
+I got 7.65% and the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Data tab</span></b> looked like. If you check
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Mustrain</span></b>
+button in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Select plot type</span></b> box, you will see the interesting
+mustrain surface plot for ground sucrose.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2265 +2549 @@
 
 <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
  id="Picture_x0020_47" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
@@ -2275 +2559 @@
 <p class=MsoNormal>Before refining H-atom positions it would be wise to create
 restraints on their bond distances and angles. Locate <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Restraints</span></b> in the main
 GSAS-II data tree; there will be an almost blank window telling you there are
 no bond restraints for sucrose. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Edit/Add <span class=GramE>restraints<span
-style='font-family:"Times New Roman","serif";font-weight:normal'>,</span></span></span></b>
-a dialog box will appear asking for the origin atom for the bond. </p>
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Add restraints</span></b>, a dialog box
+will appear asking for the origin atom for the bond. </p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2292 +2575 @@
 
 <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>all H</span></b> and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
 A new dialog box will appear asking for the target atoms for the bonds.</p>
@@ -2306 +2589 @@
 
 <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>all C</span></b> and <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>all O</span></b> and a third
 dialog box appears asking for the bond length</p>
@@ -2321 +2604 @@
 
 <p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>1.09</span></b> and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
 I got a short list of 8 H-C and H-O restraints, but I expect 22 of them. Change
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Search range</span></b>
-to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.5</span></b>
 and repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Edit/Add restraints</span></b>. There are now 22 restraints on H-C
 and H-O bond lengths.</p>
@@ -2343 +2626 @@
 
 <p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Angle restraints</span></b> tab and again
 there aren’t any. Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Edit/Add restraints</span></b>, a dialog box
 will appear asking for the A atom in the angle A-B-C. Select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all H</span></b>.
 The next dialog asks for the B atom in the A-B-C angle, select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all C</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all O</span></b>.
 The third dialog asks for the angle and has a default of <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>109.54</span></b>. This is the
 tetrahedral angle so just press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>OK</span></b>. 36 restraints will be listed;
 they are listed in order of the B atom. O-atoms should have one angle apiece;
@@ -2373 +2656 @@
 
 <p class=MsoNormal>Now go back the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Atoms</span></b> tab in <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>, select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>H</span></b>
 from the dialog box by double clicking on the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>Type</span></b> column. Then do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Set
 atom refinement flags</span></b>. Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>X-coordinates</span></b>; this will set those
 for all H-atoms. Now do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>, the console will
-list progress on the “Penalty function” (i.e. the restraints) and the <span
-class=SpellE>Rwp</span> drops in my case to ~7.05%. One can increase the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Restraint
-weight factors</span></b> to tighten them up at some expense in <span
-class=SpellE>Rwp</span>. In the end I chose <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+list progress on the “Penalty function” (i.e. the restraints) and the Rwp drops
+in my case to ~7.05%. One can increase the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Restraint weight factors</span></b> to
+tighten them up at some expense in Rwp. In the end I chose <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b> for both <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Bond</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Angle</span></b>
-restraints to give a final <span class=SpellE>Rwp</span> ~7.1%. NB: the H-atom
-positions may not be correct even though the refinement apparently succeeded.
-You should check that the OH ones all give reasonable H-bonds to neighboring
-O-atoms. As this is powder data such changes will hardly affect the fit but
-will be more satisfying. At present such checking is outside the scope of
-GSAS-II.</p>
+restraints to give a final Rwp ~7.1%. NB: the H-atom positions may not be
+correct even though the refinement apparently succeeded. You should check that
+the OH ones all give reasonable H-bonds to neighboring O-atoms. As this is
+powder data such changes will hardly affect the fit but will be more
+satisfying. At present such checking is outside the scope of GSAS-II.</p>
 
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>

Tutorials/CFsucrose/Charge Flipping - sucrose_files/filelist.xml

@@ -13 +13 @@
  <o:File HRef="image009.png"/>
  <o:File HRef="image010.png"/>
- <o:File HRef="image052.png"/>
+ <o:File HRef="image011.png"/>
  <o:File HRef="image012.png"/>
- <o:File HRef="image053.jpg"/>
+ <o:File HRef="image013.jpg"/>
  <o:File HRef="image014.png"/>
- <o:File HRef="image054.jpg"/>
+ <o:File HRef="image015.jpg"/>
  <o:File HRef="image016.png"/>
  <o:File HRef="image017.png"/>
- <o:File HRef="image055.jpg"/>
+ <o:File HRef="image018.jpg"/>
  <o:File HRef="image019.png"/>
- <o:File HRef="image056.jpg"/>
+ <o:File HRef="image020.jpg"/>
  <o:File HRef="image021.png"/>
  <o:File HRef="image022.png"/>
  <o:File HRef="image023.png"/>
- <o:File HRef="image057.jpg"/>
+ <o:File HRef="image024.jpg"/>
  <o:File HRef="image025.png"/>
  <o:File HRef="image026.png"/>
- <o:File HRef="image058.jpg"/>
+ <o:File HRef="image027.jpg"/>
  <o:File HRef="image028.png"/>
  <o:File HRef="image029.png"/>
@@ -36 +36 @@
  <o:File HRef="image032.png"/>
  <o:File HRef="image033.png"/>
- <o:File HRef="image059.jpg"/>
+ <o:File HRef="image034.jpg"/>
  <o:File HRef="image035.png"/>
- <o:File HRef="image060.jpg"/>
+ <o:File HRef="image036.jpg"/>
  <o:File HRef="image037.png"/>
- <o:File HRef="image061.jpg"/>
+ <o:File HRef="image038.jpg"/>
  <o:File HRef="image039.png"/>
- <o:File HRef="image062.jpg"/>
+ <o:File HRef="image040.jpg"/>
  <o:File HRef="image041.png"/>
  <o:File HRef="image042.png"/>