source: trunk/help/gsasII.html @ 599

Last change on this file since 599 was 599, checked in by vondreele, 10 years ago

GSASIIstruct.py - set up a DEBUG flag
comment out some dead code
begin inclusion of penalty fxns.
add Tutorials to help stuff

  • Property svn:keywords set to Author
  • Property svn:mime-type set to text/html
File size: 221.2 KB
Line 
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2xmlns:o="urn:schemas-microsoft-com:office:office"
3xmlns:w="urn:schemas-microsoft-com:office:word"
4xmlns:m="http://schemas.microsoft.com/office/2004/12/omml"
5xmlns="http://www.w3.org/TR/REC-html40">
6
7<head>
8<meta http-equiv=Content-Type content="text/html; charset=us-ascii">
9<meta name=ProgId content=Word.Document>
10<meta name=Generator content="Microsoft Word 14">
11<meta name=Originator content="Microsoft Word 14">
12<link rel=File-List href="gsasII_files/filelist.xml">
13<link rel=Edit-Time-Data href="gsasII_files/editdata.mso">
14<!--[if !mso]>
15<style>
16v\:* {behavior:url(#default#VML);}
17o\:* {behavior:url(#default#VML);}
18w\:* {behavior:url(#default#VML);}
19.shape {behavior:url(#default#VML);}
20</style>
21<![endif]-->
22<title>Help for GSAS-II</title>
23<!--[if gte mso 9]><xml>
24 <o:DocumentProperties>
25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>86</o:Revision>
28  <o:TotalTime>2820</o:TotalTime>
29  <o:Created>2011-11-28T16:49:00Z</o:Created>
30  <o:LastSaved>2012-05-07T19:57:00Z</o:LastSaved>
31  <o:Pages>8</o:Pages>
32  <o:Words>7204</o:Words>
33  <o:Characters>41065</o:Characters>
34  <o:Company>Argonne National Laboratory</o:Company>
35  <o:Lines>342</o:Lines>
36  <o:Paragraphs>96</o:Paragraphs>
37  <o:CharactersWithSpaces>48173</o:CharactersWithSpaces>
38  <o:Version>14.00</o:Version>
39 </o:DocumentProperties>
40</xml><![endif]-->
41<link rel=dataStoreItem href="gsasII_files/item0010.xml"
42target="gsasII_files/props011.xml">
43<link rel=themeData href="gsasII_files/themedata.thmx">
44<link rel=colorSchemeMapping href="gsasII_files/colorschememapping.xml">
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47  <w:Zoom>FullPage</w:Zoom>
48  <w:SpellingState>Clean</w:SpellingState>
49  <w:GrammarState>Clean</w:GrammarState>
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51  <w:TrackFormatting/>
52  <w:ValidateAgainstSchemas/>
53  <w:SaveIfXMLInvalid>false</w:SaveIfXMLInvalid>
54  <w:IgnoreMixedContent>false</w:IgnoreMixedContent>
55  <w:AlwaysShowPlaceholderText>false</w:AlwaysShowPlaceholderText>
56  <w:DoNotPromoteQF/>
57  <w:LidThemeOther>EN-US</w:LidThemeOther>
58  <w:LidThemeAsian>X-NONE</w:LidThemeAsian>
59  <w:LidThemeComplexScript>X-NONE</w:LidThemeComplexScript>
60  <w:Compatibility>
61   <w:BreakWrappedTables/>
62   <w:SnapToGridInCell/>
63   <w:WrapTextWithPunct/>
64   <w:UseAsianBreakRules/>
65   <w:DontGrowAutofit/>
66   <w:SplitPgBreakAndParaMark/>
67   <w:DontVertAlignCellWithSp/>
68   <w:DontBreakConstrainedForcedTables/>
69   <w:DontVertAlignInTxbx/>
70   <w:Word11KerningPairs/>
71   <w:CachedColBalance/>
72  </w:Compatibility>
73  <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel>
74  <m:mathPr>
75   <m:mathFont m:val="Cambria Math"/>
76   <m:brkBin m:val="before"/>
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107  <w:LsdException Locked="false" Priority="39" Name="toc 3"/>
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110  <w:LsdException Locked="false" Priority="39" Name="toc 6"/>
111  <w:LsdException Locked="false" Priority="39" Name="toc 7"/>
112  <w:LsdException Locked="false" Priority="39" Name="toc 8"/>
113  <w:LsdException Locked="false" Priority="39" Name="toc 9"/>
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138   UnhideWhenUsed="false" Name="Medium Shading 2"/>
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148   UnhideWhenUsed="false" Name="Medium Grid 3"/>
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150   UnhideWhenUsed="false" Name="Dark List"/>
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186  <w:LsdException Locked="false" Priority="71" SemiHidden="false"
187   UnhideWhenUsed="false" Name="Colorful Shading Accent 1"/>
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189   UnhideWhenUsed="false" Name="Colorful List Accent 1"/>
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191   UnhideWhenUsed="false" Name="Colorful Grid Accent 1"/>
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193   UnhideWhenUsed="false" Name="Light Shading Accent 2"/>
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195   UnhideWhenUsed="false" Name="Light List Accent 2"/>
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197   UnhideWhenUsed="false" Name="Light Grid Accent 2"/>
198  <w:LsdException Locked="false" Priority="63" SemiHidden="false"
199   UnhideWhenUsed="false" Name="Medium Shading 1 Accent 2"/>
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201   UnhideWhenUsed="false" Name="Medium Shading 2 Accent 2"/>
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203   UnhideWhenUsed="false" Name="Medium List 1 Accent 2"/>
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205   UnhideWhenUsed="false" Name="Medium List 2 Accent 2"/>
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207   UnhideWhenUsed="false" Name="Medium Grid 1 Accent 2"/>
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211   UnhideWhenUsed="false" Name="Medium Grid 3 Accent 2"/>
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213   UnhideWhenUsed="false" Name="Dark List Accent 2"/>
214  <w:LsdException Locked="false" Priority="71" SemiHidden="false"
215   UnhideWhenUsed="false" Name="Colorful Shading Accent 2"/>
216  <w:LsdException Locked="false" Priority="72" SemiHidden="false"
217   UnhideWhenUsed="false" Name="Colorful List Accent 2"/>
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219   UnhideWhenUsed="false" Name="Colorful Grid Accent 2"/>
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221   UnhideWhenUsed="false" Name="Light Shading Accent 3"/>
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223   UnhideWhenUsed="false" Name="Light List Accent 3"/>
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225   UnhideWhenUsed="false" Name="Light Grid Accent 3"/>
226  <w:LsdException Locked="false" Priority="63" SemiHidden="false"
227   UnhideWhenUsed="false" Name="Medium Shading 1 Accent 3"/>
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229   UnhideWhenUsed="false" Name="Medium Shading 2 Accent 3"/>
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231   UnhideWhenUsed="false" Name="Medium List 1 Accent 3"/>
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240  <w:LsdException Locked="false" Priority="70" SemiHidden="false"
241   UnhideWhenUsed="false" Name="Dark List Accent 3"/>
242  <w:LsdException Locked="false" Priority="71" SemiHidden="false"
243   UnhideWhenUsed="false" Name="Colorful Shading Accent 3"/>
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245   UnhideWhenUsed="false" Name="Colorful List Accent 3"/>
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247   UnhideWhenUsed="false" Name="Colorful Grid Accent 3"/>
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249   UnhideWhenUsed="false" Name="Light Shading Accent 4"/>
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251   UnhideWhenUsed="false" Name="Light List Accent 4"/>
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255   UnhideWhenUsed="false" Name="Medium Shading 1 Accent 4"/>
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257   UnhideWhenUsed="false" Name="Medium Shading 2 Accent 4"/>
258  <w:LsdException Locked="false" Priority="65" SemiHidden="false"
259   UnhideWhenUsed="false" Name="Medium List 1 Accent 4"/>
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261   UnhideWhenUsed="false" Name="Medium List 2 Accent 4"/>
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267   UnhideWhenUsed="false" Name="Medium Grid 3 Accent 4"/>
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269   UnhideWhenUsed="false" Name="Dark List Accent 4"/>
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271   UnhideWhenUsed="false" Name="Colorful Shading Accent 4"/>
272  <w:LsdException Locked="false" Priority="72" SemiHidden="false"
273   UnhideWhenUsed="false" Name="Colorful List Accent 4"/>
274  <w:LsdException Locked="false" Priority="73" SemiHidden="false"
275   UnhideWhenUsed="false" Name="Colorful Grid Accent 4"/>
276  <w:LsdException Locked="false" Priority="60" SemiHidden="false"
277   UnhideWhenUsed="false" Name="Light Shading Accent 5"/>
278  <w:LsdException Locked="false" Priority="61" SemiHidden="false"
279   UnhideWhenUsed="false" Name="Light List Accent 5"/>
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281   UnhideWhenUsed="false" Name="Light Grid Accent 5"/>
282  <w:LsdException Locked="false" Priority="63" SemiHidden="false"
283   UnhideWhenUsed="false" Name="Medium Shading 1 Accent 5"/>
284  <w:LsdException Locked="false" Priority="64" SemiHidden="false"
285   UnhideWhenUsed="false" Name="Medium Shading 2 Accent 5"/>
286  <w:LsdException Locked="false" Priority="65" SemiHidden="false"
287   UnhideWhenUsed="false" Name="Medium List 1 Accent 5"/>
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289   UnhideWhenUsed="false" Name="Medium List 2 Accent 5"/>
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295   UnhideWhenUsed="false" Name="Medium Grid 3 Accent 5"/>
296  <w:LsdException Locked="false" Priority="70" SemiHidden="false"
297   UnhideWhenUsed="false" Name="Dark List Accent 5"/>
298  <w:LsdException Locked="false" Priority="71" SemiHidden="false"
299   UnhideWhenUsed="false" Name="Colorful Shading Accent 5"/>
300  <w:LsdException Locked="false" Priority="72" SemiHidden="false"
301   UnhideWhenUsed="false" Name="Colorful List Accent 5"/>
302  <w:LsdException Locked="false" Priority="73" SemiHidden="false"
303   UnhideWhenUsed="false" Name="Colorful Grid Accent 5"/>
304  <w:LsdException Locked="false" Priority="60" SemiHidden="false"
305   UnhideWhenUsed="false" Name="Light Shading Accent 6"/>
306  <w:LsdException Locked="false" Priority="61" SemiHidden="false"
307   UnhideWhenUsed="false" Name="Light List Accent 6"/>
308  <w:LsdException Locked="false" Priority="62" SemiHidden="false"
309   UnhideWhenUsed="false" Name="Light Grid Accent 6"/>
310  <w:LsdException Locked="false" Priority="63" SemiHidden="false"
311   UnhideWhenUsed="false" Name="Medium Shading 1 Accent 6"/>
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313   UnhideWhenUsed="false" Name="Medium Shading 2 Accent 6"/>
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315   UnhideWhenUsed="false" Name="Medium List 1 Accent 6"/>
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317   UnhideWhenUsed="false" Name="Medium List 2 Accent 6"/>
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319   UnhideWhenUsed="false" Name="Medium Grid 1 Accent 6"/>
320  <w:LsdException Locked="false" Priority="68" SemiHidden="false"
321   UnhideWhenUsed="false" Name="Medium Grid 2 Accent 6"/>
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323   UnhideWhenUsed="false" Name="Medium Grid 3 Accent 6"/>
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325   UnhideWhenUsed="false" Name="Dark List Accent 6"/>
326  <w:LsdException Locked="false" Priority="71" SemiHidden="false"
327   UnhideWhenUsed="false" Name="Colorful Shading Accent 6"/>
328  <w:LsdException Locked="false" Priority="72" SemiHidden="false"
329   UnhideWhenUsed="false" Name="Colorful List Accent 6"/>
330  <w:LsdException Locked="false" Priority="73" SemiHidden="false"
331   UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/>
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335   UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/>
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341   UnhideWhenUsed="false" QFormat="true" Name="Book Title"/>
342  <w:LsdException Locked="false" Priority="37" Name="Bibliography"/>
343  <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/>
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346<style>
347<!--
348 /* Font Definitions */
349 @font-face
350        {font-family:"Cambria Math";
351        panose-1:2 4 5 3 5 4 6 3 2 4;
352        mso-font-charset:0;
353        mso-generic-font-family:roman;
354        mso-font-pitch:variable;
355        mso-font-signature:-536870145 1107305727 0 0 415 0;}
356@font-face
357        {font-family:Cambria;
358        panose-1:2 4 5 3 5 4 6 3 2 4;
359        mso-font-charset:0;
360        mso-generic-font-family:roman;
361        mso-font-pitch:variable;
362        mso-font-signature:-536870145 1073743103 0 0 415 0;}
363@font-face
364        {font-family:Tahoma;
365        panose-1:2 11 6 4 3 5 4 4 2 4;
366        mso-font-charset:0;
367        mso-generic-font-family:swiss;
368        mso-font-pitch:variable;
369        mso-font-signature:-520081665 -1073717157 41 0 66047 0;}
370 /* Style Definitions */
371 p.MsoNormal, li.MsoNormal, div.MsoNormal
372        {mso-style-unhide:no;
373        mso-style-qformat:yes;
374        mso-style-parent:"";
375        margin:0in;
376        margin-bottom:.0001pt;
377        mso-pagination:widow-orphan;
378        font-size:12.0pt;
379        font-family:"Times New Roman","serif";
380        mso-fareast-font-family:"Times New Roman";
381        mso-fareast-theme-font:minor-fareast;}
382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-noshow:yes;
432        mso-style-priority:9;
433        mso-style-qformat:yes;
434        mso-style-link:"Heading 4 Char";
435        mso-style-next:Normal;
436        margin-top:10.0pt;
437        margin-right:0in;
438        margin-bottom:0in;
439        margin-left:0in;
440        margin-bottom:.0001pt;
441        mso-pagination:widow-orphan lines-together;
442        page-break-after:avoid;
443        mso-outline-level:4;
444        font-size:13.0pt;
445        font-family:"Cambria","serif";
446        mso-ascii-font-family:Cambria;
447        mso-ascii-theme-font:major-latin;
448        mso-fareast-font-family:"Times New Roman";
449        mso-fareast-theme-font:major-fareast;
450        mso-hansi-font-family:Cambria;
451        mso-hansi-theme-font:major-latin;
452        mso-bidi-font-family:"Times New Roman";
453        mso-bidi-theme-font:major-bidi;
454        color:#4F81BD;
455        mso-themecolor:accent1;
456        font-weight:bold;
457        font-style:italic;}
458h5
459        {mso-style-noshow:yes;
460        mso-style-priority:9;
461        mso-style-qformat:yes;
462        mso-style-link:"Heading 5 Char";
463        mso-margin-top-alt:auto;
464        margin-right:0in;
465        mso-margin-bottom-alt:auto;
466        margin-left:0in;
467        mso-pagination:widow-orphan;
468        mso-outline-level:5;
469        font-size:12.0pt;
470        font-family:"Times New Roman","serif";
471        mso-fareast-font-family:"Times New Roman";
472        mso-fareast-theme-font:minor-fareast;
473        color:#4F4FFF;
474        font-weight:bold;}
475p.MsoTitle, li.MsoTitle, div.MsoTitle
476        {mso-style-noshow:yes;
477        mso-style-priority:10;
478        mso-style-unhide:no;
479        mso-style-qformat:yes;
480        mso-style-link:"Title Char";
481        mso-style-next:Normal;
482        margin-top:0in;
483        margin-right:0in;
484        margin-bottom:15.0pt;
485        margin-left:0in;
486        mso-add-space:auto;
487        mso-pagination:widow-orphan;
488        border:none;
489        mso-border-bottom-alt:solid #4F81BD 1.0pt;
490        mso-border-bottom-themecolor:accent1;
491        padding:0in;
492        mso-padding-alt:0in 0in 4.0pt 0in;
493        font-size:26.0pt;
494        font-family:"Cambria","serif";
495        mso-ascii-font-family:Cambria;
496        mso-ascii-theme-font:major-latin;
497        mso-fareast-font-family:"Times New Roman";
498        mso-fareast-theme-font:major-fareast;
499        mso-hansi-font-family:Cambria;
500        mso-hansi-theme-font:major-latin;
501        mso-bidi-font-family:"Times New Roman";
502        mso-bidi-theme-font:major-bidi;
503        color:#17365D;
504        mso-themecolor:text2;
505        mso-themeshade:191;
506        letter-spacing:.25pt;
507        mso-font-kerning:14.0pt;}
508p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
509        {mso-style-noshow:yes;
510        mso-style-priority:10;
511        mso-style-unhide:no;
512        mso-style-qformat:yes;
513        mso-style-link:"Title Char";
514        mso-style-next:Normal;
515        mso-style-type:export-only;
516        margin:0in;
517        margin-bottom:.0001pt;
518        mso-add-space:auto;
519        mso-pagination:widow-orphan;
520        border:none;
521        mso-border-bottom-alt:solid #4F81BD 1.0pt;
522        mso-border-bottom-themecolor:accent1;
523        padding:0in;
524        mso-padding-alt:0in 0in 4.0pt 0in;
525        font-size:26.0pt;
526        font-family:"Cambria","serif";
527        mso-ascii-font-family:Cambria;
528        mso-ascii-theme-font:major-latin;
529        mso-fareast-font-family:"Times New Roman";
530        mso-fareast-theme-font:major-fareast;
531        mso-hansi-font-family:Cambria;
532        mso-hansi-theme-font:major-latin;
533        mso-bidi-font-family:"Times New Roman";
534        mso-bidi-theme-font:major-bidi;
535        color:#17365D;
536        mso-themecolor:text2;
537        mso-themeshade:191;
538        letter-spacing:.25pt;
539        mso-font-kerning:14.0pt;}
540p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
541        {mso-style-noshow:yes;
542        mso-style-priority:10;
543        mso-style-unhide:no;
544        mso-style-qformat:yes;
545        mso-style-link:"Title Char";
546        mso-style-next:Normal;
547        mso-style-type:export-only;
548        margin:0in;
549        margin-bottom:.0001pt;
550        mso-add-space:auto;
551        mso-pagination:widow-orphan;
552        border:none;
553        mso-border-bottom-alt:solid #4F81BD 1.0pt;
554        mso-border-bottom-themecolor:accent1;
555        padding:0in;
556        mso-padding-alt:0in 0in 4.0pt 0in;
557        font-size:26.0pt;
558        font-family:"Cambria","serif";
559        mso-ascii-font-family:Cambria;
560        mso-ascii-theme-font:major-latin;
561        mso-fareast-font-family:"Times New Roman";
562        mso-fareast-theme-font:major-fareast;
563        mso-hansi-font-family:Cambria;
564        mso-hansi-theme-font:major-latin;
565        mso-bidi-font-family:"Times New Roman";
566        mso-bidi-theme-font:major-bidi;
567        color:#17365D;
568        mso-themecolor:text2;
569        mso-themeshade:191;
570        letter-spacing:.25pt;
571        mso-font-kerning:14.0pt;}
572p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
573        {mso-style-noshow:yes;
574        mso-style-priority:10;
575        mso-style-unhide:no;
576        mso-style-qformat:yes;
577        mso-style-link:"Title Char";
578        mso-style-next:Normal;
579        mso-style-type:export-only;
580        margin-top:0in;
581        margin-right:0in;
582        margin-bottom:15.0pt;
583        margin-left:0in;
584        mso-add-space:auto;
585        mso-pagination:widow-orphan;
586        border:none;
587        mso-border-bottom-alt:solid #4F81BD 1.0pt;
588        mso-border-bottom-themecolor:accent1;
589        padding:0in;
590        mso-padding-alt:0in 0in 4.0pt 0in;
591        font-size:26.0pt;
592        font-family:"Cambria","serif";
593        mso-ascii-font-family:Cambria;
594        mso-ascii-theme-font:major-latin;
595        mso-fareast-font-family:"Times New Roman";
596        mso-fareast-theme-font:major-fareast;
597        mso-hansi-font-family:Cambria;
598        mso-hansi-theme-font:major-latin;
599        mso-bidi-font-family:"Times New Roman";
600        mso-bidi-theme-font:major-bidi;
601        color:#17365D;
602        mso-themecolor:text2;
603        mso-themeshade:191;
604        letter-spacing:.25pt;
605        mso-font-kerning:14.0pt;}
606a:link, span.MsoHyperlink
607        {mso-style-noshow:yes;
608        mso-style-priority:99;
609        color:blue;
610        text-decoration:underline;
611        text-underline:single;}
612a:visited, span.MsoHyperlinkFollowed
613        {mso-style-noshow:yes;
614        mso-style-priority:99;
615        color:purple;
616        text-decoration:underline;
617        text-underline:single;}
618p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
619        {mso-style-noshow:yes;
620        mso-style-priority:99;
621        mso-style-link:"Document Map Char";
622        margin:0in;
623        margin-bottom:.0001pt;
624        mso-pagination:widow-orphan;
625        font-size:8.0pt;
626        font-family:"Tahoma","sans-serif";
627        mso-fareast-font-family:"Times New Roman";
628        mso-fareast-theme-font:minor-fareast;}
629p
630        {mso-style-noshow:yes;
631        mso-style-priority:99;
632        mso-margin-top-alt:auto;
633        margin-right:0in;
634        mso-margin-bottom-alt:auto;
635        margin-left:0in;
636        mso-pagination:widow-orphan;
637        font-size:12.0pt;
638        font-family:"Times New Roman","serif";
639        mso-fareast-font-family:"Times New Roman";
640        mso-fareast-theme-font:minor-fareast;}
641pre
642        {mso-style-noshow:yes;
643        mso-style-priority:99;
644        mso-style-link:"HTML Preformatted Char";
645        margin:0in;
646        margin-bottom:.0001pt;
647        mso-pagination:widow-orphan;
648        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
649        font-size:10.0pt;
650        font-family:"Courier New";
651        mso-fareast-font-family:"Times New Roman";}
652p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
653        {mso-style-noshow:yes;
654        mso-style-priority:99;
655        mso-style-link:"Balloon Text Char";
656        margin:0in;
657        margin-bottom:.0001pt;
658        mso-pagination:widow-orphan;
659        font-size:8.0pt;
660        font-family:"Tahoma","sans-serif";
661        mso-fareast-font-family:"Times New Roman";
662        mso-fareast-theme-font:minor-fareast;}
663span.MsoPlaceholderText
664        {mso-style-noshow:yes;
665        mso-style-priority:99;
666        mso-style-unhide:no;
667        color:gray;}
668p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
669        {mso-style-noshow:yes;
670        mso-style-priority:1;
671        mso-style-unhide:no;
672        mso-style-qformat:yes;
673        mso-style-parent:"";
674        margin:0in;
675        margin-bottom:.0001pt;
676        mso-pagination:widow-orphan;
677        font-size:12.0pt;
678        font-family:"Times New Roman","serif";
679        mso-fareast-font-family:"Times New Roman";
680        mso-fareast-theme-font:minor-fareast;}
681p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
682        {mso-style-noshow:yes;
683        mso-style-priority:34;
684        mso-style-unhide:no;
685        mso-style-qformat:yes;
686        margin-top:0in;
687        margin-right:0in;
688        margin-bottom:0in;
689        margin-left:.5in;
690        margin-bottom:.0001pt;
691        mso-add-space:auto;
692        mso-pagination:widow-orphan;
693        font-size:12.0pt;
694        font-family:"Times New Roman","serif";
695        mso-fareast-font-family:"Times New Roman";
696        mso-fareast-theme-font:minor-fareast;}
697p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
698        {mso-style-noshow:yes;
699        mso-style-priority:34;
700        mso-style-unhide:no;
701        mso-style-qformat:yes;
702        mso-style-type:export-only;
703        margin-top:0in;
704        margin-right:0in;
705        margin-bottom:0in;
706        margin-left:.5in;
707        margin-bottom:.0001pt;
708        mso-add-space:auto;
709        mso-pagination:widow-orphan;
710        font-size:12.0pt;
711        font-family:"Times New Roman","serif";
712        mso-fareast-font-family:"Times New Roman";
713        mso-fareast-theme-font:minor-fareast;}
714p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
715        {mso-style-noshow:yes;
716        mso-style-priority:34;
717        mso-style-unhide:no;
718        mso-style-qformat:yes;
719        mso-style-type:export-only;
720        margin-top:0in;
721        margin-right:0in;
722        margin-bottom:0in;
723        margin-left:.5in;
724        margin-bottom:.0001pt;
725        mso-add-space:auto;
726        mso-pagination:widow-orphan;
727        font-size:12.0pt;
728        font-family:"Times New Roman","serif";
729        mso-fareast-font-family:"Times New Roman";
730        mso-fareast-theme-font:minor-fareast;}
731p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
732        {mso-style-noshow:yes;
733        mso-style-priority:34;
734        mso-style-unhide:no;
735        mso-style-qformat:yes;
736        mso-style-type:export-only;
737        margin-top:0in;
738        margin-right:0in;
739        margin-bottom:0in;
740        margin-left:.5in;
741        margin-bottom:.0001pt;
742        mso-add-space:auto;
743        mso-pagination:widow-orphan;
744        font-size:12.0pt;
745        font-family:"Times New Roman","serif";
746        mso-fareast-font-family:"Times New Roman";
747        mso-fareast-theme-font:minor-fareast;}
748span.MsoIntenseReference
749        {mso-style-priority:32;
750        mso-style-unhide:no;
751        mso-style-qformat:yes;
752        font-variant:small-caps;
753        color:#C0504D;
754        mso-themecolor:accent2;
755        letter-spacing:.25pt;
756        font-weight:bold;
757        text-decoration:underline;
758        text-underline:single;}
759span.Heading1Char
760        {mso-style-name:"Heading 1 Char";
761        mso-style-priority:9;
762        mso-style-unhide:no;
763        mso-style-locked:yes;
764        mso-style-link:"Heading 1";
765        mso-ansi-font-size:14.0pt;
766        mso-bidi-font-size:14.0pt;
767        font-family:"Cambria","serif";
768        mso-ascii-font-family:Cambria;
769        mso-ascii-theme-font:major-latin;
770        mso-fareast-font-family:"Times New Roman";
771        mso-fareast-theme-font:major-fareast;
772        mso-hansi-font-family:Cambria;
773        mso-hansi-theme-font:major-latin;
774        mso-bidi-font-family:"Times New Roman";
775        mso-bidi-theme-font:major-bidi;
776        color:#365F91;
777        mso-themecolor:accent1;
778        mso-themeshade:191;
779        font-weight:bold;}
780span.Heading2Char
781        {mso-style-name:"Heading 2 Char";
782        mso-style-noshow:yes;
783        mso-style-priority:9;
784        mso-style-unhide:no;
785        mso-style-locked:yes;
786        mso-style-link:"Heading 2";
787        mso-ansi-font-size:13.0pt;
788        mso-bidi-font-size:13.0pt;
789        font-family:"Cambria","serif";
790        mso-ascii-font-family:Cambria;
791        mso-ascii-theme-font:major-latin;
792        mso-fareast-font-family:"Times New Roman";
793        mso-fareast-theme-font:major-fareast;
794        mso-hansi-font-family:Cambria;
795        mso-hansi-theme-font:major-latin;
796        mso-bidi-font-family:"Times New Roman";
797        mso-bidi-theme-font:major-bidi;
798        color:#4F81BD;
799        mso-themecolor:accent1;
800        font-weight:bold;}
801span.Heading3Char
802        {mso-style-name:"Heading 3 Char";
803        mso-style-noshow:yes;
804        mso-style-priority:9;
805        mso-style-unhide:no;
806        mso-style-locked:yes;
807        mso-style-link:"Heading 3";
808        mso-ansi-font-size:12.0pt;
809        mso-bidi-font-size:12.0pt;
810        font-family:"Cambria","serif";
811        mso-ascii-font-family:Cambria;
812        mso-ascii-theme-font:major-latin;
813        mso-fareast-font-family:"Times New Roman";
814        mso-fareast-theme-font:major-fareast;
815        mso-hansi-font-family:Cambria;
816        mso-hansi-theme-font:major-latin;
817        mso-bidi-font-family:"Times New Roman";
818        mso-bidi-theme-font:major-bidi;
819        color:#4F81BD;
820        mso-themecolor:accent1;
821        font-weight:bold;}
822span.Heading4Char
823        {mso-style-name:"Heading 4 Char";
824        mso-style-noshow:yes;
825        mso-style-priority:9;
826        mso-style-unhide:no;
827        mso-style-locked:yes;
828        mso-style-link:"Heading 4";
829        mso-ansi-font-size:12.0pt;
830        mso-bidi-font-size:12.0pt;
831        font-family:"Cambria","serif";
832        mso-ascii-font-family:Cambria;
833        mso-ascii-theme-font:major-latin;
834        mso-fareast-font-family:"Times New Roman";
835        mso-fareast-theme-font:major-fareast;
836        mso-hansi-font-family:Cambria;
837        mso-hansi-theme-font:major-latin;
838        mso-bidi-font-family:"Times New Roman";
839        mso-bidi-theme-font:major-bidi;
840        color:#4F81BD;
841        mso-themecolor:accent1;
842        font-weight:bold;
843        font-style:italic;}
844span.Heading5Char
845        {mso-style-name:"Heading 5 Char";
846        mso-style-noshow:yes;
847        mso-style-priority:9;
848        mso-style-unhide:no;
849        mso-style-locked:yes;
850        mso-style-link:"Heading 5";
851        mso-ansi-font-size:12.0pt;
852        mso-bidi-font-size:12.0pt;
853        font-family:"Cambria","serif";
854        mso-ascii-font-family:Cambria;
855        mso-ascii-theme-font:major-latin;
856        mso-fareast-font-family:"Times New Roman";
857        mso-fareast-theme-font:major-fareast;
858        mso-hansi-font-family:Cambria;
859        mso-hansi-theme-font:major-latin;
860        mso-bidi-font-family:"Times New Roman";
861        mso-bidi-theme-font:major-bidi;
862        color:#243F60;
863        mso-themecolor:accent1;
864        mso-themeshade:127;}
865span.HTMLPreformattedChar
866        {mso-style-name:"HTML Preformatted Char";
867        mso-style-noshow:yes;
868        mso-style-priority:99;
869        mso-style-unhide:no;
870        mso-style-locked:yes;
871        mso-style-link:"HTML Preformatted";
872        font-family:"Courier New";
873        mso-ascii-font-family:"Courier New";
874        mso-hansi-font-family:"Courier New";
875        mso-bidi-font-family:"Courier New";}
876span.TitleChar
877        {mso-style-name:"Title Char";
878        mso-style-priority:10;
879        mso-style-unhide:no;
880        mso-style-locked:yes;
881        mso-style-link:Title;
882        mso-ansi-font-size:26.0pt;
883        mso-bidi-font-size:26.0pt;
884        font-family:"Cambria","serif";
885        mso-ascii-font-family:Cambria;
886        mso-ascii-theme-font:major-latin;
887        mso-fareast-font-family:"Times New Roman";
888        mso-fareast-theme-font:major-fareast;
889        mso-hansi-font-family:Cambria;
890        mso-hansi-theme-font:major-latin;
891        mso-bidi-font-family:"Times New Roman";
892        mso-bidi-theme-font:major-bidi;
893        color:#17365D;
894        mso-themecolor:text2;
895        mso-themeshade:191;
896        letter-spacing:.25pt;
897        mso-font-kerning:14.0pt;}
898span.DocumentMapChar
899        {mso-style-name:"Document Map Char";
900        mso-style-noshow:yes;
901        mso-style-priority:99;
902        mso-style-unhide:no;
903        mso-style-locked:yes;
904        mso-style-link:"Document Map";
905        mso-ansi-font-size:8.0pt;
906        mso-bidi-font-size:8.0pt;
907        font-family:"Tahoma","sans-serif";
908        mso-ascii-font-family:Tahoma;
909        mso-fareast-font-family:"Times New Roman";
910        mso-fareast-theme-font:minor-fareast;
911        mso-hansi-font-family:Tahoma;
912        mso-bidi-font-family:Tahoma;}
913span.BalloonTextChar
914        {mso-style-name:"Balloon Text Char";
915        mso-style-noshow:yes;
916        mso-style-priority:99;
917        mso-style-unhide:no;
918        mso-style-locked:yes;
919        mso-style-link:"Balloon Text";
920        mso-ansi-font-size:8.0pt;
921        mso-bidi-font-size:8.0pt;
922        font-family:"Tahoma","sans-serif";
923        mso-ascii-font-family:Tahoma;
924        mso-fareast-font-family:"Times New Roman";
925        mso-fareast-theme-font:minor-fareast;
926        mso-hansi-font-family:Tahoma;
927        mso-bidi-font-family:Tahoma;}
928span.SpellE
929        {mso-style-name:"";
930        mso-spl-e:yes;}
931span.GramE
932        {mso-style-name:"";
933        mso-gram-e:yes;}
934.MsoChpDefault
935        {mso-style-type:export-only;
936        mso-default-props:yes;
937        font-size:10.0pt;
938        mso-ansi-font-size:10.0pt;
939        mso-bidi-font-size:10.0pt;}
940@page WordSection1
941        {size:8.5in 11.0in;
942        margin:1.0in 1.0in 1.0in 1.0in;
943        mso-header-margin:.5in;
944        mso-footer-margin:.5in;
945        mso-paper-source:0;}
946div.WordSection1
947        {page:WordSection1;}
948 /* List Definitions */
949 @list l0
950        {mso-list-id:142163818;
951        mso-list-type:hybrid;
952        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
953@list l0:level1
954        {mso-level-tab-stop:none;
955        mso-level-number-position:left;
956        text-indent:-.25in;}
957@list l0:level2
958        {mso-level-number-format:alpha-lower;
959        mso-level-tab-stop:none;
960        mso-level-number-position:left;
961        text-indent:-.25in;}
962@list l0:level3
963        {mso-level-number-format:roman-lower;
964        mso-level-tab-stop:none;
965        mso-level-number-position:right;
966        text-indent:-9.0pt;}
967@list l0:level4
968        {mso-level-tab-stop:2.0in;
969        mso-level-number-position:left;
970        text-indent:-.25in;}
971@list l0:level5
972        {mso-level-tab-stop:2.5in;
973        mso-level-number-position:left;
974        text-indent:-.25in;}
975@list l0:level6
976        {mso-level-tab-stop:3.0in;
977        mso-level-number-position:left;
978        text-indent:-.25in;}
979@list l0:level7
980        {mso-level-tab-stop:3.5in;
981        mso-level-number-position:left;
982        text-indent:-.25in;}
983@list l0:level8
984        {mso-level-tab-stop:4.0in;
985        mso-level-number-position:left;
986        text-indent:-.25in;}
987@list l0:level9
988        {mso-level-tab-stop:4.5in;
989        mso-level-number-position:left;
990        text-indent:-.25in;}
991@list l1
992        {mso-list-id:203979460;
993        mso-list-template-ids:88359672;}
994@list l1:level1
995        {mso-level-number-format:bullet;
996        mso-level-text:\F0B7;
997        mso-level-tab-stop:.5in;
998        mso-level-number-position:left;
999        text-indent:-.25in;
1000        mso-ansi-font-size:10.0pt;
1001        font-family:Symbol;}
1002@list l1:level2
1003        {mso-level-tab-stop:1.0in;
1004        mso-level-number-position:left;
1005        text-indent:-.25in;}
1006@list l1:level3
1007        {mso-level-tab-stop:1.5in;
1008        mso-level-number-position:left;
1009        text-indent:-.25in;}
1010@list l1:level4
1011        {mso-level-tab-stop:2.0in;
1012        mso-level-number-position:left;
1013        text-indent:-.25in;}
1014@list l1:level5
1015        {mso-level-tab-stop:2.5in;
1016        mso-level-number-position:left;
1017        text-indent:-.25in;}
1018@list l1:level6
1019        {mso-level-tab-stop:3.0in;
1020        mso-level-number-position:left;
1021        text-indent:-.25in;}
1022@list l1:level7
1023        {mso-level-tab-stop:3.5in;
1024        mso-level-number-position:left;
1025        text-indent:-.25in;}
1026@list l1:level8
1027        {mso-level-tab-stop:4.0in;
1028        mso-level-number-position:left;
1029        text-indent:-.25in;}
1030@list l1:level9
1031        {mso-level-tab-stop:4.5in;
1032        mso-level-number-position:left;
1033        text-indent:-.25in;}
1034@list l2
1035        {mso-list-id:268514595;
1036        mso-list-type:hybrid;
1037        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1038@list l2:level1
1039        {mso-level-number-format:alpha-lower;
1040        mso-level-tab-stop:none;
1041        mso-level-number-position:left;
1042        margin-left:1.0in;
1043        text-indent:-.25in;
1044        mso-ansi-font-weight:normal;}
1045@list l2:level2
1046        {mso-level-tab-stop:1.0in;
1047        mso-level-number-position:left;
1048        text-indent:-.25in;}
1049@list l2:level3
1050        {mso-level-tab-stop:112.5pt;
1051        mso-level-number-position:left;
1052        margin-left:112.5pt;
1053        text-indent:-.25in;}
1054@list l2:level4
1055        {mso-level-tab-stop:2.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l2:level5
1059        {mso-level-tab-stop:2.5in;
1060        mso-level-number-position:left;
1061        text-indent:-.25in;}
1062@list l2:level6
1063        {mso-level-tab-stop:3.0in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l2:level7
1067        {mso-level-tab-stop:3.5in;
1068        mso-level-number-position:left;
1069        text-indent:-.25in;}
1070@list l2:level8
1071        {mso-level-tab-stop:4.0in;
1072        mso-level-number-position:left;
1073        text-indent:-.25in;}
1074@list l2:level9
1075        {mso-level-tab-stop:4.5in;
1076        mso-level-number-position:left;
1077        text-indent:-.25in;}
1078@list l3
1079        {mso-list-id:301277244;
1080        mso-list-template-ids:-445226636;}
1081@list l3:level1
1082        {mso-level-tab-stop:none;
1083        mso-level-number-position:left;
1084        text-indent:-.25in;}
1085@list l3:level2
1086        {mso-level-number-format:alpha-lower;
1087        mso-level-tab-stop:1.0in;
1088        mso-level-number-position:left;
1089        text-indent:-.25in;}
1090@list l3:level3
1091        {mso-level-tab-stop:1.5in;
1092        mso-level-number-position:left;
1093        text-indent:-.25in;}
1094@list l3:level4
1095        {mso-level-number-format:alpha-lower;
1096        mso-level-tab-stop:2.0in;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l3:level5
1100        {mso-level-tab-stop:2.5in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l3:level6
1104        {mso-level-tab-stop:3.0in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l3:level7
1108        {mso-level-tab-stop:3.5in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l3:level8
1112        {mso-level-tab-stop:4.0in;
1113        mso-level-number-position:left;
1114        text-indent:-.25in;}
1115@list l3:level9
1116        {mso-level-tab-stop:4.5in;
1117        mso-level-number-position:left;
1118        text-indent:-.25in;}
1119@list l4
1120        {mso-list-id:424421782;
1121        mso-list-template-ids:-445226636;}
1122@list l4:level1
1123        {mso-level-tab-stop:none;
1124        mso-level-number-position:left;
1125        text-indent:-.25in;}
1126@list l4:level2
1127        {mso-level-number-format:alpha-lower;
1128        mso-level-tab-stop:1.0in;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l4:level3
1132        {mso-level-tab-stop:1.5in;
1133        mso-level-number-position:left;
1134        text-indent:-.25in;}
1135@list l4:level4
1136        {mso-level-number-format:alpha-lower;
1137        mso-level-tab-stop:2.0in;
1138        mso-level-number-position:left;
1139        text-indent:-.25in;}
1140@list l4:level5
1141        {mso-level-tab-stop:2.5in;
1142        mso-level-number-position:left;
1143        text-indent:-.25in;}
1144@list l4:level6
1145        {mso-level-tab-stop:3.0in;
1146        mso-level-number-position:left;
1147        text-indent:-.25in;}
1148@list l4:level7
1149        {mso-level-tab-stop:3.5in;
1150        mso-level-number-position:left;
1151        text-indent:-.25in;}
1152@list l4:level8
1153        {mso-level-tab-stop:4.0in;
1154        mso-level-number-position:left;
1155        text-indent:-.25in;}
1156@list l4:level9
1157        {mso-level-tab-stop:4.5in;
1158        mso-level-number-position:left;
1159        text-indent:-.25in;}
1160@list l5
1161        {mso-list-id:617220658;
1162        mso-list-type:hybrid;
1163        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1164@list l5:level1
1165        {mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l5:level2
1169        {mso-level-tab-stop:1.0in;
1170        mso-level-number-position:left;
1171        text-indent:-.25in;}
1172@list l5:level3
1173        {mso-level-tab-stop:1.5in;
1174        mso-level-number-position:left;
1175        text-indent:-.25in;}
1176@list l5:level4
1177        {mso-level-tab-stop:2.0in;
1178        mso-level-number-position:left;
1179        text-indent:-.25in;}
1180@list l5:level5
1181        {mso-level-tab-stop:2.5in;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l5:level6
1185        {mso-level-tab-stop:3.0in;
1186        mso-level-number-position:left;
1187        text-indent:-.25in;}
1188@list l5:level7
1189        {mso-level-tab-stop:3.5in;
1190        mso-level-number-position:left;
1191        text-indent:-.25in;}
1192@list l5:level8
1193        {mso-level-tab-stop:4.0in;
1194        mso-level-number-position:left;
1195        text-indent:-.25in;}
1196@list l5:level9
1197        {mso-level-tab-stop:4.5in;
1198        mso-level-number-position:left;
1199        text-indent:-.25in;}
1200@list l6
1201        {mso-list-id:649361966;
1202        mso-list-template-ids:326264828;}
1203@list l6:level1
1204        {mso-level-tab-stop:none;
1205        mso-level-number-position:left;
1206        text-indent:-.25in;}
1207@list l6:level2
1208        {mso-level-number-format:alpha-lower;
1209        mso-level-tab-stop:1.0in;
1210        mso-level-number-position:left;
1211        text-indent:-.25in;
1212        mso-ansi-font-size:12.0pt;
1213        font-family:"Times New Roman","serif";
1214        mso-ansi-font-weight:normal;
1215        mso-ansi-font-style:normal;}
1216@list l6:level3
1217        {mso-level-tab-stop:1.5in;
1218        mso-level-number-position:left;
1219        text-indent:-.25in;}
1220@list l6:level4
1221        {mso-level-number-format:alpha-lower;
1222        mso-level-tab-stop:2.0in;
1223        mso-level-number-position:left;
1224        text-indent:-.25in;}
1225@list l6:level5
1226        {mso-level-tab-stop:2.5in;
1227        mso-level-number-position:left;
1228        text-indent:-.25in;}
1229@list l6:level6
1230        {mso-level-tab-stop:3.0in;
1231        mso-level-number-position:left;
1232        text-indent:-.25in;}
1233@list l6:level7
1234        {mso-level-tab-stop:3.5in;
1235        mso-level-number-position:left;
1236        text-indent:-.25in;}
1237@list l6:level8
1238        {mso-level-tab-stop:4.0in;
1239        mso-level-number-position:left;
1240        text-indent:-.25in;}
1241@list l6:level9
1242        {mso-level-tab-stop:4.5in;
1243        mso-level-number-position:left;
1244        text-indent:-.25in;}
1245@list l7
1246        {mso-list-id:656106218;
1247        mso-list-type:hybrid;
1248        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1249@list l7:level1
1250        {mso-level-tab-stop:none;
1251        mso-level-number-position:left;
1252        text-indent:-.25in;}
1253@list l7:level2
1254        {mso-level-tab-stop:1.0in;
1255        mso-level-number-position:left;
1256        text-indent:-.25in;}
1257@list l7:level3
1258        {mso-level-tab-stop:1.5in;
1259        mso-level-number-position:left;
1260        text-indent:-.25in;}
1261@list l7:level4
1262        {mso-level-tab-stop:2.0in;
1263        mso-level-number-position:left;
1264        text-indent:-.25in;}
1265@list l7:level5
1266        {mso-level-tab-stop:2.5in;
1267        mso-level-number-position:left;
1268        text-indent:-.25in;}
1269@list l7:level6
1270        {mso-level-tab-stop:3.0in;
1271        mso-level-number-position:left;
1272        text-indent:-.25in;}
1273@list l7:level7
1274        {mso-level-tab-stop:3.5in;
1275        mso-level-number-position:left;
1276        text-indent:-.25in;}
1277@list l7:level8
1278        {mso-level-tab-stop:4.0in;
1279        mso-level-number-position:left;
1280        text-indent:-.25in;}
1281@list l7:level9
1282        {mso-level-tab-stop:4.5in;
1283        mso-level-number-position:left;
1284        text-indent:-.25in;}
1285@list l8
1286        {mso-list-id:734669460;
1287        mso-list-type:hybrid;
1288        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1289@list l8:level1
1290        {mso-level-tab-stop:none;
1291        mso-level-number-position:left;
1292        text-indent:-.25in;}
1293@list l8:level2
1294        {mso-level-tab-stop:1.0in;
1295        mso-level-number-position:left;
1296        text-indent:-.25in;}
1297@list l8:level3
1298        {mso-level-tab-stop:1.5in;
1299        mso-level-number-position:left;
1300        text-indent:-.25in;}
1301@list l8:level4
1302        {mso-level-tab-stop:2.0in;
1303        mso-level-number-position:left;
1304        text-indent:-.25in;}
1305@list l8:level5
1306        {mso-level-tab-stop:2.5in;
1307        mso-level-number-position:left;
1308        text-indent:-.25in;}
1309@list l8:level6
1310        {mso-level-tab-stop:3.0in;
1311        mso-level-number-position:left;
1312        text-indent:-.25in;}
1313@list l8:level7
1314        {mso-level-tab-stop:3.5in;
1315        mso-level-number-position:left;
1316        text-indent:-.25in;}
1317@list l8:level8
1318        {mso-level-tab-stop:4.0in;
1319        mso-level-number-position:left;
1320        text-indent:-.25in;}
1321@list l8:level9
1322        {mso-level-tab-stop:4.5in;
1323        mso-level-number-position:left;
1324        text-indent:-.25in;}
1325@list l9
1326        {mso-list-id:742676264;
1327        mso-list-template-ids:326264828;}
1328@list l9:level1
1329        {mso-level-tab-stop:none;
1330        mso-level-number-position:left;
1331        text-indent:-.25in;}
1332@list l9:level2
1333        {mso-level-number-format:alpha-lower;
1334        mso-level-tab-stop:1.0in;
1335        mso-level-number-position:left;
1336        text-indent:-.25in;
1337        mso-ansi-font-size:12.0pt;
1338        font-family:"Times New Roman","serif";
1339        mso-ansi-font-weight:normal;
1340        mso-ansi-font-style:normal;}
1341@list l9:level3
1342        {mso-level-tab-stop:1.5in;
1343        mso-level-number-position:left;
1344        text-indent:-.25in;}
1345@list l9:level4
1346        {mso-level-number-format:alpha-lower;
1347        mso-level-tab-stop:2.0in;
1348        mso-level-number-position:left;
1349        text-indent:-.25in;}
1350@list l9:level5
1351        {mso-level-tab-stop:2.5in;
1352        mso-level-number-position:left;
1353        text-indent:-.25in;}
1354@list l9:level6
1355        {mso-level-tab-stop:3.0in;
1356        mso-level-number-position:left;
1357        text-indent:-.25in;}
1358@list l9:level7
1359        {mso-level-tab-stop:3.5in;
1360        mso-level-number-position:left;
1361        text-indent:-.25in;}
1362@list l9:level8
1363        {mso-level-tab-stop:4.0in;
1364        mso-level-number-position:left;
1365        text-indent:-.25in;}
1366@list l9:level9
1367        {mso-level-tab-stop:4.5in;
1368        mso-level-number-position:left;
1369        text-indent:-.25in;}
1370@list l10
1371        {mso-list-id:919948450;
1372        mso-list-type:hybrid;
1373        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1374@list l10:level1
1375        {mso-level-tab-stop:none;
1376        mso-level-number-position:left;
1377        text-indent:-.25in;}
1378@list l10:level2
1379        {mso-level-tab-stop:1.0in;
1380        mso-level-number-position:left;
1381        text-indent:-.25in;}
1382@list l10:level3
1383        {mso-level-tab-stop:1.5in;
1384        mso-level-number-position:left;
1385        text-indent:-.25in;}
1386@list l10:level4
1387        {mso-level-tab-stop:2.0in;
1388        mso-level-number-position:left;
1389        text-indent:-.25in;}
1390@list l10:level5
1391        {mso-level-tab-stop:2.5in;
1392        mso-level-number-position:left;
1393        text-indent:-.25in;}
1394@list l10:level6
1395        {mso-level-tab-stop:3.0in;
1396        mso-level-number-position:left;
1397        text-indent:-.25in;}
1398@list l10:level7
1399        {mso-level-tab-stop:3.5in;
1400        mso-level-number-position:left;
1401        text-indent:-.25in;}
1402@list l10:level8
1403        {mso-level-tab-stop:4.0in;
1404        mso-level-number-position:left;
1405        text-indent:-.25in;}
1406@list l10:level9
1407        {mso-level-tab-stop:4.5in;
1408        mso-level-number-position:left;
1409        text-indent:-.25in;}
1410@list l11
1411        {mso-list-id:1035230400;
1412        mso-list-type:hybrid;
1413        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1414@list l11:level1
1415        {mso-level-tab-stop:none;
1416        mso-level-number-position:left;
1417        text-indent:-.25in;}
1418@list l11:level2
1419        {mso-level-number-format:alpha-lower;
1420        mso-level-tab-stop:none;
1421        mso-level-number-position:left;
1422        text-indent:-.25in;}
1423@list l11:level3
1424        {mso-level-tab-stop:1.5in;
1425        mso-level-number-position:left;
1426        text-indent:-.25in;}
1427@list l11:level4
1428        {mso-level-tab-stop:2.0in;
1429        mso-level-number-position:left;
1430        text-indent:-.25in;}
1431@list l11:level5
1432        {mso-level-tab-stop:2.5in;
1433        mso-level-number-position:left;
1434        text-indent:-.25in;}
1435@list l11:level6
1436        {mso-level-tab-stop:3.0in;
1437        mso-level-number-position:left;
1438        text-indent:-.25in;}
1439@list l11:level7
1440        {mso-level-tab-stop:3.5in;
1441        mso-level-number-position:left;
1442        text-indent:-.25in;}
1443@list l11:level8
1444        {mso-level-tab-stop:4.0in;
1445        mso-level-number-position:left;
1446        text-indent:-.25in;}
1447@list l11:level9
1448        {mso-level-tab-stop:4.5in;
1449        mso-level-number-position:left;
1450        text-indent:-.25in;}
1451@list l12
1452        {mso-list-id:1074664733;
1453        mso-list-type:hybrid;
1454        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1455@list l12:level1
1456        {mso-level-number-format:alpha-lower;
1457        mso-level-tab-stop:none;
1458        mso-level-number-position:left;
1459        margin-left:1.0in;
1460        text-indent:-.25in;
1461        mso-ansi-font-weight:normal;}
1462@list l12:level2
1463        {mso-level-number-format:alpha-lower;
1464        mso-level-tab-stop:none;
1465        mso-level-number-position:left;
1466        text-indent:-.25in;}
1467@list l12:level3
1468        {mso-level-tab-stop:1.5in;
1469        mso-level-number-position:left;
1470        text-indent:-.25in;}
1471@list l12:level4
1472        {mso-level-tab-stop:2.0in;
1473        mso-level-number-position:left;
1474        text-indent:-.25in;}
1475@list l12:level5
1476        {mso-level-tab-stop:2.5in;
1477        mso-level-number-position:left;
1478        text-indent:-.25in;}
1479@list l12:level6
1480        {mso-level-tab-stop:3.0in;
1481        mso-level-number-position:left;
1482        text-indent:-.25in;}
1483@list l12:level7
1484        {mso-level-tab-stop:3.5in;
1485        mso-level-number-position:left;
1486        text-indent:-.25in;}
1487@list l12:level8
1488        {mso-level-tab-stop:4.0in;
1489        mso-level-number-position:left;
1490        text-indent:-.25in;}
1491@list l12:level9
1492        {mso-level-tab-stop:4.5in;
1493        mso-level-number-position:left;
1494        text-indent:-.25in;}
1495@list l13
1496        {mso-list-id:1162892763;
1497        mso-list-type:hybrid;
1498        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1499@list l13:level1
1500        {mso-level-number-format:alpha-lower;
1501        mso-level-tab-stop:none;
1502        mso-level-number-position:left;
1503        margin-left:1.0in;
1504        text-indent:-.25in;}
1505@list l13:level2
1506        {mso-level-tab-stop:1.0in;
1507        mso-level-number-position:left;
1508        text-indent:-.25in;}
1509@list l13:level3
1510        {mso-level-tab-stop:1.5in;
1511        mso-level-number-position:left;
1512        text-indent:-.25in;}
1513@list l13:level4
1514        {mso-level-tab-stop:2.0in;
1515        mso-level-number-position:left;
1516        text-indent:-.25in;}
1517@list l13:level5
1518        {mso-level-tab-stop:2.5in;
1519        mso-level-number-position:left;
1520        text-indent:-.25in;}
1521@list l13:level6
1522        {mso-level-tab-stop:3.0in;
1523        mso-level-number-position:left;
1524        text-indent:-.25in;}
1525@list l13:level7
1526        {mso-level-tab-stop:3.5in;
1527        mso-level-number-position:left;
1528        text-indent:-.25in;}
1529@list l13:level8
1530        {mso-level-tab-stop:4.0in;
1531        mso-level-number-position:left;
1532        text-indent:-.25in;}
1533@list l13:level9
1534        {mso-level-tab-stop:4.5in;
1535        mso-level-number-position:left;
1536        text-indent:-.25in;}
1537@list l14
1538        {mso-list-id:1323200535;
1539        mso-list-type:hybrid;
1540        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1541@list l14:level1
1542        {mso-level-number-format:alpha-lower;
1543        mso-level-tab-stop:none;
1544        mso-level-number-position:left;
1545        margin-left:1.0in;
1546        text-indent:-.25in;}
1547@list l14:level2
1548        {mso-level-tab-stop:1.0in;
1549        mso-level-number-position:left;
1550        text-indent:-.25in;}
1551@list l14:level3
1552        {mso-level-tab-stop:1.5in;
1553        mso-level-number-position:left;
1554        text-indent:-.25in;}
1555@list l14:level4
1556        {mso-level-tab-stop:2.0in;
1557        mso-level-number-position:left;
1558        text-indent:-.25in;}
1559@list l14:level5
1560        {mso-level-tab-stop:2.5in;
1561        mso-level-number-position:left;
1562        text-indent:-.25in;}
1563@list l14:level6
1564        {mso-level-tab-stop:3.0in;
1565        mso-level-number-position:left;
1566        text-indent:-.25in;}
1567@list l14:level7
1568        {mso-level-tab-stop:3.5in;
1569        mso-level-number-position:left;
1570        text-indent:-.25in;}
1571@list l14:level8
1572        {mso-level-tab-stop:4.0in;
1573        mso-level-number-position:left;
1574        text-indent:-.25in;}
1575@list l14:level9
1576        {mso-level-tab-stop:4.5in;
1577        mso-level-number-position:left;
1578        text-indent:-.25in;}
1579@list l15
1580        {mso-list-id:1326516832;
1581        mso-list-type:hybrid;
1582        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1583@list l15:level1
1584        {mso-level-tab-stop:none;
1585        mso-level-number-position:left;
1586        text-indent:-.25in;}
1587@list l15:level2
1588        {mso-level-tab-stop:1.0in;
1589        mso-level-number-position:left;
1590        text-indent:-.25in;}
1591@list l15:level3
1592        {mso-level-tab-stop:1.5in;
1593        mso-level-number-position:left;
1594        text-indent:-.25in;}
1595@list l15:level4
1596        {mso-level-tab-stop:2.0in;
1597        mso-level-number-position:left;
1598        text-indent:-.25in;}
1599@list l15:level5
1600        {mso-level-tab-stop:2.5in;
1601        mso-level-number-position:left;
1602        text-indent:-.25in;}
1603@list l15:level6
1604        {mso-level-tab-stop:3.0in;
1605        mso-level-number-position:left;
1606        text-indent:-.25in;}
1607@list l15:level7
1608        {mso-level-tab-stop:3.5in;
1609        mso-level-number-position:left;
1610        text-indent:-.25in;}
1611@list l15:level8
1612        {mso-level-tab-stop:4.0in;
1613        mso-level-number-position:left;
1614        text-indent:-.25in;}
1615@list l15:level9
1616        {mso-level-tab-stop:4.5in;
1617        mso-level-number-position:left;
1618        text-indent:-.25in;}
1619@list l16
1620        {mso-list-id:1394309879;
1621        mso-list-template-ids:326264828;}
1622@list l16:level1
1623        {mso-level-tab-stop:none;
1624        mso-level-number-position:left;
1625        text-indent:-.25in;}
1626@list l16:level2
1627        {mso-level-number-format:alpha-lower;
1628        mso-level-tab-stop:1.0in;
1629        mso-level-number-position:left;
1630        text-indent:-.25in;
1631        mso-ansi-font-size:12.0pt;
1632        font-family:"Times New Roman","serif";
1633        mso-ansi-font-weight:normal;
1634        mso-ansi-font-style:normal;}
1635@list l16:level3
1636        {mso-level-tab-stop:1.5in;
1637        mso-level-number-position:left;
1638        text-indent:-.25in;}
1639@list l16:level4
1640        {mso-level-number-format:alpha-lower;
1641        mso-level-tab-stop:2.0in;
1642        mso-level-number-position:left;
1643        text-indent:-.25in;}
1644@list l16:level5
1645        {mso-level-tab-stop:2.5in;
1646        mso-level-number-position:left;
1647        text-indent:-.25in;}
1648@list l16:level6
1649        {mso-level-tab-stop:3.0in;
1650        mso-level-number-position:left;
1651        text-indent:-.25in;}
1652@list l16:level7
1653        {mso-level-tab-stop:3.5in;
1654        mso-level-number-position:left;
1655        text-indent:-.25in;}
1656@list l16:level8
1657        {mso-level-tab-stop:4.0in;
1658        mso-level-number-position:left;
1659        text-indent:-.25in;}
1660@list l16:level9
1661        {mso-level-tab-stop:4.5in;
1662        mso-level-number-position:left;
1663        text-indent:-.25in;}
1664@list l17
1665        {mso-list-id:1602683002;
1666        mso-list-type:hybrid;
1667        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1668@list l17:level1
1669        {mso-level-tab-stop:none;
1670        mso-level-number-position:left;
1671        text-indent:-.25in;}
1672@list l17:level2
1673        {mso-level-number-format:alpha-lower;
1674        mso-level-tab-stop:none;
1675        mso-level-number-position:left;
1676        text-indent:-.25in;}
1677@list l17:level3
1678        {mso-level-tab-stop:1.5in;
1679        mso-level-number-position:left;
1680        text-indent:-.25in;}
1681@list l17:level4
1682        {mso-level-tab-stop:2.0in;
1683        mso-level-number-position:left;
1684        text-indent:-.25in;}
1685@list l17:level5
1686        {mso-level-tab-stop:2.5in;
1687        mso-level-number-position:left;
1688        text-indent:-.25in;}
1689@list l17:level6
1690        {mso-level-tab-stop:3.0in;
1691        mso-level-number-position:left;
1692        text-indent:-.25in;}
1693@list l17:level7
1694        {mso-level-tab-stop:3.5in;
1695        mso-level-number-position:left;
1696        text-indent:-.25in;}
1697@list l17:level8
1698        {mso-level-tab-stop:4.0in;
1699        mso-level-number-position:left;
1700        text-indent:-.25in;}
1701@list l17:level9
1702        {mso-level-tab-stop:4.5in;
1703        mso-level-number-position:left;
1704        text-indent:-.25in;}
1705@list l18
1706        {mso-list-id:1669404025;
1707        mso-list-type:hybrid;
1708        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1709@list l18:level1
1710        {mso-level-number-format:alpha-lower;
1711        mso-level-tab-stop:none;
1712        mso-level-number-position:left;
1713        margin-left:1.0in;
1714        text-indent:-.25in;
1715        mso-ansi-font-weight:normal;}
1716@list l18:level2
1717        {mso-level-tab-stop:1.0in;
1718        mso-level-number-position:left;
1719        text-indent:-.25in;}
1720@list l18:level3
1721        {mso-level-tab-stop:112.5pt;
1722        mso-level-number-position:left;
1723        margin-left:112.5pt;
1724        text-indent:-.25in;}
1725@list l18:level4
1726        {mso-level-tab-stop:2.0in;
1727        mso-level-number-position:left;
1728        text-indent:-.25in;}
1729@list l18:level5
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1908ol
1909        {margin-bottom:0in;}
1910ul
1911        {margin-bottom:0in;}
1912-->
1913</style>
1914<!--[if gte mso 10]>
1915<style>
1916 /* Style Definitions */
1917 table.MsoNormalTable
1918        {mso-style-name:"Table Normal";
1919        mso-tstyle-rowband-size:0;
1920        mso-tstyle-colband-size:0;
1921        mso-style-noshow:yes;
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1927        mso-pagination:widow-orphan;
1928        font-size:10.0pt;
1929        font-family:"Times New Roman","serif";}
1930</style>
1931<![endif]-->
1932<link href=gsasIIfav.png rel="SHORTCUT ICON">
1933<!--[if gte mso 9]><xml>
1934 <o:shapedefaults v:ext="edit" spidmax="1027"/>
1935</xml><![endif]--><!--[if gte mso 9]><xml>
1936 <o:shapelayout v:ext="edit">
1937  <o:idmap v:ext="edit" data="1"/>
1938 </o:shapelayout></xml><![endif]-->
1939</head>
1940
1941<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1942
1943<div class=WordSection1>
1944
1945<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1946 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1947 stroked="f">
1948 <v:stroke joinstyle="miter"/>
1949 <v:formulas>
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1965</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1966 alt="Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
1967 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
1968 z-index:251657728;visibility:visible;mso-wrap-style:square;
1969 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0;
1970 mso-wrap-distance-top:0;mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
1971 mso-position-horizontal:right;mso-position-horizontal-relative:text;
1972 mso-position-vertical:absolute;mso-position-vertical-relative:line;
1973 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
1974 mso-height-relative:page' o:allowoverlap="f">
1975 <v:imagedata src="gsas2logo.png"/>
1976 <w:wrap type="square" anchory="line"/>
1977</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1978align=right
1979alt="Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
1980v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
1981for GSAS-II<o:p></o:p></span></h1>
1982
1983<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1984is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1985operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1986window, which provides a hierarchical view of the current project; the <a
1987href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1988a particular section of the project, where values can be examined and changed;
1989the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1990representations of the results; and the console which has printout information
1991that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1992
1993<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1994
1995<h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2>
1996
1997<p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span
1998style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p>
1999
2000<p class=MsoNormal><strong><a
2001href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
2002style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2003
2004<p class=MsoNormal><strong><a
2005href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2006style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2007
2008<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
2009normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2010
2011<p class=MsoNormal><strong>Lab X-ray powder pattern Rietveld refinement
2012(future)<o:p></o:p></strong></p>
2013
2014<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
2015style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
2016constraints</span></a><o:p></o:p></strong></p>
2017
2018<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement
2019(future)<o:p></o:p></strong></p>
2020
2021<p class=MsoNormal><span class=GramE><strong>Crystal structure drawing (balls
2022&amp; sticks, etc.)</strong></span><strong> (<span class=GramE>future</span>)<o:p></o:p></strong></p>
2023
2024<p class=MsoNormal><strong>Crystal structure drawing (<span class=SpellE>polyhedra</span>)
2025(future)<o:p></o:p></strong></p>
2026
2027<p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p>
2028
2029<p class=MsoNormal><strong>Charge flipping structure <span class=GramE>solution(</span>future)<o:p></o:p></strong></p>
2030
2031<p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p>
2032
2033<div class=MsoNormal align=center style='text-align:center'><span
2034style='mso-fareast-font-family:"Times New Roman"'>
2035
2036<hr size=2 width="100%" align=center>
2037
2038</span></div>
2039
2040<div class=MsoNormal align=center style='text-align:center'><span
2041style='mso-fareast-font-family:"Times New Roman"'>
2042
2043<hr size=2 width="100%" align=center>
2044
2045</span></div>
2046
2047<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2048GSAS-II data tree<o:p></o:p></span></h2>
2049
2050<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2051is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2052Clicking on any item in the tree opens a window where information in that item
2053can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2054Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2055about how data were collected, such as the sample temperature <a
2056href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2057the selection to successive entries in the data tree; both the data window and
2058the associated plot (if any) will change.<o:p></o:p></span></p>
2059
2060<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2061
2062<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2063menus associated with this window provide access to many features of GSAS-II,
2064as outlined below: <o:p></o:p></span></p>
2065
2066<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2067style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2068style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2069&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2070
2071<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2072auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2075style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2076saved GSAS-II project file (name.gpx). If you currently have a project file open,
2077you are asked if it is OK to over write it; Cancel will cancel the process. <b
2078style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2079class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2080of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2081to e.g. name.gpx to overwrite the current version. Otherwise you may get
2082backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2083
2084<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2085auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2087style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2088style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2089project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2090tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2091there. Otherwise, you will be prompted for a new name in a file dialog (you may
2092change directory as well). If the file exists, you will be asked if it OK to
2093overwrite.</span></p>
2094
2095<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2096auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2097style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2098style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2099style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2100As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2101Save the current project to a new file. A file dialog will be shown to enter
2102the name (and change directory if desired). If the file exists, you will be
2103asked if it OK to overwrite.</span></p>
2104
2105<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2106auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2107style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2108style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2109style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2110project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2111&#8211; Close the current project; you will be asked if you want to save it
2112first.</span></p>
2113
2114<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2115auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2116style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2117style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2118style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2119style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2120program; if there is a current project you will be asked if you want to save it
2121first. Pressing the red X in the upper right (Windows) also exits (no save
2122option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2123
2124<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2125style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2126style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2127&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2128
2129<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2130auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2131style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2133style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
2134powder diffraction patterns (multiple patterns can be selected). GSAS-II can
2135read most of the old GSAS powder format files with the position in <span
2136class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
2137class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
2138where the position is in degrees 2-theta. As each file is read, an old GSAS
2139style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
2140class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
2141data set is assumed. </p>
2142
2143<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2144auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2145style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2146style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2147style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2148powder diffraction images (multiple patterns can be selected). GSAS-II can read
2149many different image file formats including MAR345 files, Quantum ADSC files,
2150and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2151formats have data fields that should contain relevant information for the
2152exposure (e.g. wavelength), these are rarely filled in correctly by the data
2153acquisition software. Thus, you should have separately noted this information
2154as it will be needed</p>
2155
2156<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2157auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2158style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2159style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2160style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2161in a list of powder pattern peak positions as either a d-spacing table or a set
2162of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2163GSAS-II powder pattern indexing. </p>
2164
2165<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2166auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2167style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2168style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2169style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2170
2171<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2172auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2173style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2174style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2175style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2176
2177<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2178auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2179style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2180style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2181style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2182
2183<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2184auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2185style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2186style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2187style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2188creation of a new phase in the data tree (under Phases). You are first prompted
2189in a dialog box for a name to be assigned to the new phase. Then the <b
2190style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2191opened for this phase; you should first select the phase type, enter the space
2192group symbol and then lattice parameters. Note that nonstandard space group
2193symbols are permitted; there must be spaces between the axial fields (e.g. use
2194&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2195
2196<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2197auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2200style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2201phase from the data tree. A dialog box will present the list of phases; pick
2202one (or more) to delete.</p>
2203
2204<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2205auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2206style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2207style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2208</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2209data</b> &#8211; This might be a bad idea!!</p>
2210
2211<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2212auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2213style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2214style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2215</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2216data</b> &#8211; This will remove an item from the data tree. A dialog box with
2217a list of choices is presented.</p>
2218
2219<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2220style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2222&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2223
2224<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2225auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2226style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2227style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2228style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2229pair distribution function (PDF) controls for each powder pattern selected in
2230the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2231style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2232Controls</a></span></b> for further directions.</p>
2233
2234<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2235auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2236style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2237style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2238style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2239&#8211; This shows a dialog box with all the parameters for your project; those
2240to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2241Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2242The total number of refined parameters is also shown at the top of the list.
2243The value of each parameter is also given. The parameter names are of the form
2244&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2245phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2246item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2247that for atom positions the value is not a <span class=SpellE>refinable</span>
2248parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2249class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2250atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2251&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2252
2253<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2254auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2255style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2256style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2257style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2258refinement (Pawley/Rietveld or single crystal) according to the controls set in
2259the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2260data tree item.</p>
2261
2262<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2263auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2264style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2265style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2266style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2267sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2268normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2269
2270<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2271style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2272style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2273&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2274
2275<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2276auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2277style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2278style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2279style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2280
2281<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2282auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2283style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2284style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2285style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2286reads one phase from a GSAS experiment file (name.EXP). The file name is found
2287in a directory dialog; you can change directories as needed. Only .EXP (or
2288.exp) file names are shown. If the selected file has more than one phase, a
2289dialog is shown with the choices; only one can be chosen. If you want more than
2290one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2291command. After selecting a phase, a dialog box is shown with the proposed phase
2292name. You can change it if desired.</p>
2293
2294<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2295auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2296style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2297style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2298style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2299the macromolecular phase information from a Protein Data Base file (name.PDB or
2300name.ENT). The file name is found in a directory dialog; you can change
2301directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2302the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2303follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2304dialog box is shown with the proposed phase name. You can change it if desired.</p>
2305
2306<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2307auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2308style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2309style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2310style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2311phase from a Crystallographic Information File (name.CIF). The file name is
2312found in a directory dialog; you can change directories as needed. Only .CIF
2313(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2314has more than one phase, a dialog is shown with the choices; only one can be
2315chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2316normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2317shown with the proposed phase name. You can change it if desired.</p>
2318
2319<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2320auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2321style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2322style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2323style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2324This reads one phase from a GSAS-II project file (name.GPX). The file name is
2325found in a directory dialog; you can change directories as needed. Only .GPX
2326(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2327has more than one phase, a dialog is shown with the choices; only one can be
2328chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2329normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2330selecting a phase, a dialog box is shown with the proposed phase name. You can
2331change it if desired.</p>
2332
2333<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2334auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2335style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2336style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2337style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2338
2339<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2340auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2341style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2342style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2343style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2344
2345<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2346style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2347style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2348&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2349
2350<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2351auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2354style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2355
2356<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2357auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2358style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2359style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2360style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2361
2362<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2363auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2364style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2365style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2366style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2367
2368<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2369auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2370style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2371style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2372style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2373
2374<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2375auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2376style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2377style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2378style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2379
2380<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2381text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2382style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2383style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2384style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2385
2386<div class=MsoNormal align=center style='text-align:center'><span
2387style='mso-fareast-font-family:"Times New Roman"'>
2388
2389<hr size=2 width="100%" align=center>
2390
2391</span></div>
2392
2393<div class=MsoNormal align=center style='text-align:center'><span
2394style='mso-fareast-font-family:"Times New Roman"'>
2395
2396<hr size=2 width="100%" align=center>
2397
2398</span></div>
2399
2400<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2401GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2402"Times New Roman"'><o:p></o:p></span></h2>
2403
2404<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2405information is displayed in the Data Editing Window, depending on which section
2406of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2407the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2408window described below. <o:p></o:p></span></p>
2409
2410<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2411style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2412
2413<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2414window provides a place for you to enter whatever text commentary you wish.
2415Each time you enter this window, a date/time entry is provided for you. A
2416possibly useful technique is to select a portion of the console window after a
2417refinement completes (it will contain refinement results with residuals, new
2418values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2419window so it becomes a part of your project file.<o:p></o:p></span></p>
2420
2421<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2422style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2423
2424<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2425window provides the main controls for the major calculations in GSAS-II. At
2426present only Refinement Controls are presented. <o:p></o:p></span></p>
2427
2428<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2429of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2430MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms
2431wrapped in python as provided in the <span class=SpellE>Scipy</span> package
2432and a third one is a python version utilizing only the <span class=SpellE>numpy</span>
2433package. The purpose is to </span>minimize the sum of the squares of M<span
2434style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
2435variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2436algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2437routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2438Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2439J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2440python/numpy version was developed by us based on the material in Numerical
2441Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2442&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2443algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2444
2445<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2446
2447<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2450style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2451uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2452Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2453perhaps a bit less accurate, but may be needed if the analytic functions are
2454not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2455x M (parameters x observations) and is much larger than the Hessian matrix
2456which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2457Hessian&#8217; for routine work.<o:p></o:p></span></p>
2458
2459<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2460style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2461style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2462style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2463delta-M/M&#8217; for convergence; the refinement will stop when the change in
2464the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2465force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2466(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2467to 1.0.<o:p></o:p></span></p>
2468
2469<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2470style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2471style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2472style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2473Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2474the first cycle of refinement. This value is modified by the least squares
2475routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2476needed if your initial <span class=GramE>refinement</span> trials immediately
2477diverge, however make sure your starting parameter values are
2478&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2479performance.<o:p></o:p></span></p>
2480
2481<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2482style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2483style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2484style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2485Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2486number of least squares cycles to be performed. Least squares cycles are
2487determined by the number of times a new Hessian matrix is computes; the <span
2488class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2489several times between cycles as it finds the optimal value of the Marquardt
2490coefficient. Choices are given in the pull down selection; the default is 3
2491cycles.<o:p></o:p></span></p>
2492
2493<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2494style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2495style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2496style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2497refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2498
2499<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2500
2501<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2502window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2503shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2504
2505<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2506
2507<span style='mso-bookmark:Constraints'></span>
2508
2509<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2510window shows the constraints to be used in a refinement. It is organized into
2511three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2512parameters that describe aspects of the crystalline phases to be used in the
2513refinement (e.g. atom coordinates, thermal motion and site fraction
2514parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2515aspects of the pattern that depend on both the phase and the data set used in
2516the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2517"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2518and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2519that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2520and Y).<o:p></o:p></span></p>
2521
2522<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2523
2524<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2525style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2526style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2527style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2528parameter types you wish to constrain. Each will have the same possibilities in
2529the &#8216;Edit menu.<o:p></o:p></span></p>
2530
2531<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2532style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2533style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2534style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2535style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2536
2537<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2538auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2539style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2540style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2541class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2542"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2543style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2544style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2545that you wish to remain fixed although other parameters of the same type may be
2546selected as a group for refinement. For example, if the space group for a phase
2547has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2548is arbitrary and should be selected for a Hold to keep the structure from
2549drifting up or down the y-axis during refinement. If selected, a dialog box
2550will appear showing the list of available parameters; select one and then OK to
2551implement it, Cancel will cancel the operation. The held parameter will be
2552shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2553button can be used to remove it.<o:p></o:p></span></p>
2554
2555<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2556auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2557style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2558style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2559style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2560equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2561&#8211; select a list of parameters that should have the same value (possibly
2562with a non-unitary multiplier for some). Examples are a list of atoms with the
2563same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2564coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2565selected, a dialog box will appear with a list of the available parameters.
2566Select one and press OK; a second dialog box will appear with only those
2567parameters that can be made equivalent to the first one. Choose those and press
2568OK. Cancel in either dialog will cancel the operation. The equivalenced
2569parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
2570usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2571button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2572equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2573
2574<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2575auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2576style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2577style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2578style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2579constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2580&#8211; select a list of parameters whose sum (with possible non-unitary
2581multipliers) is fixed. For example, the sum of site fractions for atoms on the
2582same site could be fixed to unity. If selected, a dialog box will appear with a
2583list of the available parameters. Select one and press OK; a second dialog box
2584will appear with only those parameters that can be used in a constraint with
2585the first one. Choose those and press OK. Cancel in either dialog will cancel
2586the operation. The equivalenced parameters will show as an equation of the form
2587M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2588multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2589the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2590constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2591
2592<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2593text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2594style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2595style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2596style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2597function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2598&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2599the result of the sum can be varied in the refinement. The keyword
2600&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2601indicates your choice to refine the result of the sum. A Delete button can be
2602used to remove it.<o:p></o:p></span></p>
2603
2604<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2605style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2606
2607<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2608window is empty<o:p></o:p></span></p>
2609
2610<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2611
2612<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2613just yet<o:p></o:p></span></p>
2614
2615<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2616style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2617
2618<p class=MsoNormal>In this window is tabulated the results of your sequential
2619refinement. The columns are the parameter names; the naming convention is
2620&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2621h is the histogram number, name is the parameter name, and num (if needed) is
2622the item number (e.g. atom number). The rows are the data sets used in the
2623sequential refinement.</p>
2624
2625<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2626
2627<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2628
2629<h3>Histograms</h3>
2630
2631<p class=MsoNormal>These are shown in the data tree with a prefix of
2632&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2633&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2634constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2635analysis. Selection of these items does not produce any information in the data
2636window but does display the data in the Plots Window. They are described below.</p>
2637
2638<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2639
2640<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2641a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2642href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2643tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2644variety of subcategories in the tree are shown. The items that are shown depend
2645on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2646
2647<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2648style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2649
2650<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2651style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2652"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2653</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2654&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2655
2656<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2657text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2658style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2659style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2660style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2661style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2662&#8211; this produces a &#8216;normal probability&#8217; plot for the
2663refinement result as bounded by the limits. The slope and intercept of the
2664curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2665Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2666style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2667style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2668"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2669style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2670plot status line. The slope is the square root of GOF for the best fit set of
2671data points (~68% of the data).<o:p></o:p></span></span></p>
2672
2673<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2674
2675<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2676whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2677file was read by GSAS-II. If you are lucky, there will be useful information
2678here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
2679will be blank. The text is read-only in that anything you try to enter here is
2680not saved.</span></p>
2681
2682<span style='mso-bookmark:Comments'></span>
2683
2684<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2685style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2686
2687<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2688window shows the limits in position to be used in any fitting for this powder
2689pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2690maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2691needed.<o:p></o:p></span></p>
2692
2693<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2694
2695<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2696style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2697style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2698style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2699class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2700&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2701changed (the background on the box will be blue or have a black border or a vertical
2702bar will appear in the value), then enter the new value and press Enter or
2703click the mouse elsewhere in the Background window. This will set the new
2704value.<o:p></o:p></span></p>
2705
2706<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2707style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2708style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2709style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2710&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2711(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2712line) into position. A left or right mouse click on a data point on the plot
2713will set the associated limit. In either case the appropriate value on the
2714&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2715
2716<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2717style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2718style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2719style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2720style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2721
2722<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2723text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2724style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2725style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2726style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2727style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2728limits shown to other selected powder patterns. If used, a dialog box (Copy
2729Parameters) will appear showing the list of available powder patterns, you can
2730copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2731copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2732&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2733
2734<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2735
2736<span style='mso-bookmark:Background'></span>
2737
2738<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2739window shows the choice of background functions and coefficients to be used in
2740fitting this powder pattern. There are three types of contributions available
2741for the background:<o:p></o:p></span></p>
2742
2743<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2744A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2745&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2746interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2747interpolate&#8217;). The latter three select fixed points with spacing that is <span
2748class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2749x-coordinate. The set of magnitudes at each point then comprise the background
2750variables. All are refined when refine is selected.<o:p></o:p></span></p>
2751
2752<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2753"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2754form:<o:p></o:p></span></p>
2755
2756<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2757"Times New Roman"'><span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span><!--[if gte msEquation 12]><m:oMath><i
2758 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2759 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
2760   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2761   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2762   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2763     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2764     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2765     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2766     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2767     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2768     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2769     mso-fareast-font-family:"Times New Roman"'><m:r>QR</m:r></span></i></m:den></m:f></m:e></m:d><m:sSup><m:sSupPr><span
2770   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2771   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2772   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2773   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2774   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2775   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2776   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2777     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2778     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2779     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2780     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2781     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2782     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2783     mso-fareast-font-family:"Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span
2784style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2785"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2786top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2787EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2788 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2789 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2790</v:shape><![endif]--><![if !vml]><img width=178 height=51
2791src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2792style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27931'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2794
2795<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2796style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2797variables and can be individually selected as desired; Q = 2</span><span
2798style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2799style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2800
2801<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2802A set of individual Bragg peaks using the pseudo-Voigt profile function as
2803their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2804&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2805&#8216;gam&#8217;; each can be selected for refinement. The default values for
2806sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2807to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2808
2809<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2810
2811<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2814style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2815style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2816
2817<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2818auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2819style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2820style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2821style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2822style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2823background parameters shown to other selected powder patterns. If used, a
2824dialog box (Copy Parameters) will appear showing the list of available powder
2825patterns, you can copy the background parameters to any or all of them; select
2826&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2827do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2828
2829<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2830auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2833style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2834flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2835<span class=GramE>this copies</span> only the refinement flags shown to other
2836selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2837appear showing the list of available powder patterns, you can copy the
2838refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2839to all patterns. Then select &#8216;OK&#8217; to do the copy;
2840&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2841
2842<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2843style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2844style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2845style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2846Background function from the pull down tab.<o:p></o:p></span></p>
2847
2848<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2849style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2850style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2851style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2852refine the background coefficients.<o:p></o:p></span></p>
2853
2854<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2855style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2856style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2857style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2858background coefficients to be used (1-36).<o:p></o:p></span></p>
2859
2860<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2861style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2862style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2863style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2864background coefficient values. Enter the value then press Enter or click the
2865mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2866
2867<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2868style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2869style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2870style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2871Debye scattering terms into the background. For each one you should enter a
2872sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2873an amorphous phase is appropriate. Select parameters to refine; usually start
2874with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2875
2876<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2877style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2878style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2879style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2880Bragg peaks into the background. For each you should specify at least the
2881position. Select parameters to refine; usually start with the &#8216;<span
2882class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2883
2884<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2885"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2886style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2887
2888<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2889window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2890
2891<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2892
2893<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2894style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2895style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2896style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2897style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2898
2899<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2900auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2901style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2902style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2903style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2904profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2905loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2906replacing the existing instrument parameter values. All refinement flags are
2907unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2908
2909<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2910auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2911style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2912style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2913style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2914profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2915the current instrument parameter values in a simple text file (<span
2916class=SpellE>name.instprm</span>); you will be prompted for the file name
2917&#8211; do not change the extension. This file may be edited but heed the
2918warning to not change the parameter names, the order of the parameter records
2919or add new parameter records as this will invalidate the file. You may only
2920change the numeric values if necessary. You can change or add comment records
2921(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2922
2923<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2924auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2925style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2926style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2927style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2928profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2929resets the values for the instrument parameters to the default values shown in
2930parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2931
2932<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2933auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2934style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2935style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2936style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2937style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2938instrument parameters shown to other selected powder patterns. If used, a
2939dialog box (Copy parameters) will appear showing the list of available powder
2940patterns, you can copy the instrument parameters to any or all of them; select
2941&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2942do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2943work for instrument parameters that are commensurate with the one that is
2944shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2945style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2946style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2947style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2948style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2949style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2950style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2951
2952<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2953auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2954style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2955style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2956style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2957flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2958&#8211; this copies the instrument parameter refinement flags shown to other
2959selected powder patterns. If used, a dialog box (Copy refinement flags) will
2960appear showing the list of available powder patterns, you can copy the
2961instrument parameter refinement flags to any or all of them; select
2962&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2963do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2964work for instrument parameters that are commensurate with the one that is
2965shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2966style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2967style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2968style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2969style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2970style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2971style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2972
2973<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2974auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2975style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2976style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2977style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2978radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2979&#8211; this changes the radiation between single wavelength (e.g. for
2980synchrotron source) and K</span><sub><span style='font-family:Symbol;
2981mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2982style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2983style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2984style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2985style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2986style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2987laboratory tube source).<o:p></o:p></span></p>
2988
2989<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2990style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2991style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2992style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2993profile coefficients<o:p></o:p></span></p>
2994
2995<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2996style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2997style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2998style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2999profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
3000circumstances some choices are ignored e.g. Zero is not refined during peak
3001fitting. Also some choices may lead to unstable refinement, e.g. <span
3002class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
3003&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
3004style='mso-fareast-font-family:"Times New Roman"'> display for highly
3005correlated parameters.<o:p></o:p></span></p>
3006
3007<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
3008"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
3009
3010<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3011window show the various sample dependent parameters for this powder pattern.
3012The presence of a refine button indicates which can be refined while others are
3013fixed. All values can be changed in this window.<o:p></o:p></span></p>
3014
3015<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
3016Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
3017do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
3018style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
3019color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3020
3021<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3022style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3023style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3024normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3026style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3027normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3028style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3029style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3030style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3031style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3032normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3033
3034<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3035text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3036style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3037style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3038style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3039style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3040style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3041style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3042sample parameters shown to other selected powder patterns. If used, a dialog
3043box (Copy parameters) will appear showing the list of available powder
3044patterns, you can copy the sample parameters to any or all of them; select
3045&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3046do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3047
3048<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3049text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3050style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3051style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3052style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3053style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3054flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
3055style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
3056- &#8211; this copies the sample parameter refinement flags shown to other
3057selected powder patterns. If used, a dialog box (Copy refinement flags) will
3058appear showing the list of available powder patterns, you can copy the sample
3059parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3060copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3061&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3062
3063<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3064style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3065style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3066
3067<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3068window shows the list of peaks that will be used by the peak fitting
3069refinement. It is filled by picking peaks in the powder pattern displayed in
3070the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3071
3072<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3073style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3074can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3075style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3076normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3077
3078<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3079style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3080"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3081bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3082</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3083color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3084style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3085color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3086style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3087normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3088
3089<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3090tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3091style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3092normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3093style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3094class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3095style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3096color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3097peak parameters, background and instrument parameter values varied in the last
3098peak fitting refinement back to their original values. Use this to recover from
3099a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3100only a single level of recovery available.<o:p></o:p></span></span></h5>
3101
3102<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3103tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3104style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3105normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3106style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3107style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3108class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3109style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3110normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3111peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3112background parameters and instrument parameters with refine checked will be
3113varied in this refinement. The refinement will proceed until convergence. We
3114suggest you vary the intensity along with the background first (the default),
3115then vary the position and instrument parameters after. The order will depend
3116on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3117&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3118difference curve displayed in the GSASII Plots window. If individual peaks show
3119peak widths that are widely different, their individual sigma and gamma
3120parameters may be refined. If the refinement results in negative peak
3121coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3122style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3123"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3124style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3125color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3126and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3127
3128<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3129tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3130style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3131normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3133style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3134cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3135style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3136normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3137squares refinement. This can be used in difficult cases to get a refinement
3138started toward convergence.<o:p></o:p></span></span></h5>
3139
3140<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3141tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3142style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3143normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3144style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3145style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3146and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3147style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3148normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3149gamma to those computed from the instrument parameters U, V, W, <span
3150class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3151
3152<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3153tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3154style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3155normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3156style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3157style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3158style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3159color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3160removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3161
3162<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3163style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3164"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3165bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3166</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3167color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3168peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3169near to the top point on a peak, 2) press the left mouse button. The selected
3170peak will be added to the Peak List in its correct sorted order and a blue
3171vertical line will be plotted on that position. Be sure that the Zoom/Pan
3172buttons are not selected on the Plot window. We recommend that you begin
3173picking peaks from the right side of the pattern; that way the tool tip
3174won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3175
3176<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3177style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3178"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3179bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3180</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3181color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3182Peak List item using the mouse on the plot by: 1) position the pointer on the
3183blue line for the peak you wish to move, 2) holding the left mouse button down,
3184drag to the desired position &amp; then release the button. The peak line will
3185be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3186selected on the Plot window.<o:p></o:p></span></span></h5>
3187
3188<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3189style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3190"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3191</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3192can change individual peak coefficient values. Enter the value then press Enter
3193or Tab or click the mouse elsewhere in the Peak List window. This will set the
3194new value.<o:p></o:p></span></span></p>
3195
3196<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3197style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3198"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3199</span></span></span><![endif]>You can change the refine flags either by
3200clicking on the box or by selecting one and then selecting the column (a single
3201click on the column heading; column should show in blue). Then type
3202&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3203style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3204
3205<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3206style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3207"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3208bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3209</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3210color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3211peaks in the Peak List by selecting rows (should appear in blue) and then
3212pressing the Delete key. You can also delete peaks using the mouse on the plot
3213by positioning the pointer on the blue line for the peak to be deleted and then
3214pressing the right mouse button. The blue line should vanish and the
3215corresponding peak will be removed from the Peak List. Be sure that the
3216Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3217
3218<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3219"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3220"Times New Roman"'><o:p></o:p></span></h4>
3221
3222<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3223window shows the list of peaks that will be used for indexing (see </span><a
3224href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3225Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3226It must be filled before indexing can proceed. When indexing is completed, this
3227display will show the resulting <span class=SpellE>hkl</span> values for every
3228indexed reflection along with the calculated d-spacing (&#8216;d-<span
3229class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3230href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3231Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3232
3233<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3234
3235<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3236style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3237style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3238style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3239style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3240style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3241positions &amp; intensities from the </span><a href="#Peak_List"><span
3242style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3243style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3244the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3245Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3246href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3247Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3248table to the position shown here.<o:p></o:p></span></p>
3249
3250<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3251style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3252style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3253style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3254peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3255
3256<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3257style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3258"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3259"Times New Roman"'><o:p></o:p></span></h4>
3260
3261<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3262window... <o:p></o:p></span></p>
3263
3264<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3265List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3266
3267<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3268window... <o:p></o:p></span></p>
3269
3270<h3>Single Crystal Histograms - HKLF</h3>
3271
3272<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3273Functions - PDF<o:p></o:p></span></h3>
3274
3275<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3276Controls<o:p></o:p></span></h4>
3277
3278<p class=MsoNormal>This window </p>
3279
3280<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3281"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3282<a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) &amp; <a name="G_R"></a>G(R)<o:p></o:p></span></h4>
3283
3284<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3285window... <o:p></o:p></span></p>
3286
3287<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3288IMG<o:p></o:p></span></h3>
3289
3290<h4><a name=Images>Image Controls</a></h4>
3291
3292<span style='mso-bookmark:Images'></span>
3293
3294<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3295window... <o:p></o:p></span></p>
3296
3297<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3298mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3299style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3300name="Image_Masks"></a><![endif]></h4>
3301
3302<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3303window... <o:p></o:p></span></p>
3304
3305<h3>Phase Windows</h3>
3306
3307<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3308a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3309shown for that selected phase in a tabbed window. Clicking on each tab raises
3310the windows listed below. Each tab is identified by the underlined phrase in
3311the following:<o:p></o:p></span></p>
3312
3313<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3314Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3315
3316<span style='mso-bookmark:General'></span>
3317
3318<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3319gives overall parameters describing the phase such as the name, space group,
3320the unit cell parameters and overall parameters for the atom present in the
3321phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3322
3323<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3324
3325<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3326style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3327style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3328style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3329style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3330shows computations that are possible for this phase.<o:p></o:p></span></p>
3331
3332<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3333auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3334style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3335style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3336style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3337maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3338compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3339
3340<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3341auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3342style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3343style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3344style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3345maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3346search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3347% of the maximum will be found in this procedure; they will be printed on the
3348console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3349page. This page will immediately be shown and the peaks will be shown on the
3350structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3351
3352<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3353style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3354style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3355style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3356of the General page that can be changed are Phase name, Phase type, Space
3357group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3358
3359<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3360auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3361style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3362style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3363style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3364name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3365this is the name assigned to this phase. It should only be changed when the
3366phase is initialized or imported.<u><o:p></o:p></u></span></p>
3367
3368<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3369auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3370style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3371style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3372style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3373type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3374can only be set when there are no atoms in the Atoms page for this phase.
3375Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3376
3377<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3378auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3379style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3380style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3381style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3382group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3383&#8211; this should be set when the phase is initialized; it can be changed
3384later. Be careful about the impact on Atom site symmetry and multiplicity if
3385you do. GSAS-II will recognize any legal space group symbol using the short
3386Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3387fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3388with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3389setting where the center of inversion is located at the origin. The choice of
3390space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3391
3392<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3393auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3394style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3395style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3396style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3397unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3398&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3399Pawley refinement. The actual parameters refined are the symmetry allowed terms
3400(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3401normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3402"Times New Roman"'><br>
3403</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3404    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3405    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3406    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3407    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3408    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3409    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3410    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3411  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3412  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3413    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3414    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3415    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3416    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3417    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3418    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3419    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3420    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3421    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3422    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3423    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3424    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3425    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3426    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3427  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3428  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3429    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3430    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3431    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3432    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3433    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3434    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3435    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3436    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3437    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3438    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3439    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3440    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3441    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3442    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3443  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3444  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3445    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3446    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3447    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3448    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3449    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3450    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3451    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3452    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3453    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3454    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3455    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3456    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3457    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3458    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3459  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3460  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3461    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3462    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3463    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3464    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3465    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3466    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3467    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3468  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3469  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3470    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3471    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3472    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3473    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3474    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3475    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3476    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3477  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3478  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3479    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3480    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3481    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3482    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3483    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3484    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3485    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3486  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3487  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3488style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3489"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3490mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3491 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3492 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3493</v:shape><![endif]--><![if !vml]><img width=335 height=19
3494src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3495style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3496
3497<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3498auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3499style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3500style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3501class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3502"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3503style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3504style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3505only those permitted by the space group are shown. The volume is computed from
3506the values entered.<u><o:p></o:p></u></span></p>
3507
3508<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3509style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3510style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3511style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3512Atoms page then the Elements table is shown next on the General page; you may
3513select the isotope (only relevant for neutron diffraction experiments). The
3514density is computed depending on this choice, the unit cell volume and the atom
3515fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3516
3517<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3518style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3519style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3520style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3521shown at the bottom of the General page. A completed Rietveld or Pawley
3522refinement is required before a Fourier map can be computed. Select the desired
3523type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3524
3525<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3526</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3527
3528<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3529
3530<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3531style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3532mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3533line-break'>
3534<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3535<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3536
3537<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3538
3539<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3540
3541<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3542
3543<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3544
3545<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3546
3547<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3548
3549<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3550
3551<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3552
3553<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3554rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3555ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3556menus for this tab; Edit allows modification of the list of atoms to be rendered
3557and Compute gives some options for geometric characterization of selected
3558atoms.</p>
3559
3560<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3561
3562<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3563style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3564style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3565Selection from table: select individual atoms by a left click of the mouse when
3566pointed at the left most column (atom numbers) of the atom display; hold down
3567the Ctrl key to add to your selection; a previously selected atom will be
3568deselected. A selected atom will be highlighted (in grey) and the atom will be
3569shown in green on the plot. Selection without the Ctrl key will clear previous
3570selections. A double left click in the (empty) upper left box will select or
3571deselect all atoms.</p>
3572
3573<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3574style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3575style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3576Selection from plot: select an atom by a left click of the mouse while holding
3577down the Shift key and pointed at the center of the displayed atom, it will
3578turn green if successful and the corresponding entry in the table will be
3579highlighted (in grey); any previous selections will be cleared. To add to .your
3580selection use the right mouse button (Shift down); if a previously selection is
3581reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3582normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3583to select, they may be selected inadvertently. You can rotate the structure
3584anytime during the selection process.</p>
3585
3586<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3587style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3588style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3589left click a Name, Type and Sym Op column heading: a dialog box is shown that
3590allows you to select all atoms with that characteristic. For example, selecting
3591the Type column will show all the atom types; your choice will then cause all
3592those atoms to be selected.</p>
3593
3594<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3595style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3596style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3597left click a Style, Label or Color column: a dialog box is shown that allows
3598you to select a rendering option for all the atoms. For Color a color choice
3599dialog is displayed that covers the entire color spectrum. Choose a color by
3600any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3601select that color in the Custom colors display and then press OK. <b
3602style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3603have the same color and for Style &#8220;blank&#8221; means the atoms
3604aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3605
3606<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3607style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3608style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3609&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3610shows operations that can be performed on your selected atoms. You must select
3611one or more atoms before using any of the menu items.</p>
3612
3613<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3614auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3615style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3616style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3617style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3618style for the selected atoms</p>
3619
3620<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3621auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3622style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3623style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3624style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3625be shown as a label for each atom in selection. The choices are: none, type,
3626name or number.</p>
3627
3628<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3629auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3630style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3631style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3632style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3633the atom; a color choice dialog is displayed that covers the entire color
3634spectrum. Choose a color by any of the means available, press the &#8220;Add to
3635Custom Colors&#8221;, select that color in the Custom colors display and then
3636press OK.</p>
3637
3638<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3639auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3640style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3641style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3642style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3643atom color back to their defaults for the selected atoms.</p>
3644
3645<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3646auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3647style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3648style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3649style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3650view point to the first atom in the selection.</p>
3651
3652<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3653auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3654style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3655style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3656style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3657atoms, new ones are added to the bottom of the list after applying your choice
3658of symmetry operator and unit cell translation selected via a dialog display.
3659Duplicate atom positions are not retained. Any anisotropic thermal displacement
3660parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3661
3662<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3663auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3664style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3665style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3666style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3667symmetry operator and unit cell translation to the set of selected atoms; they
3668will be changed in place. Any anisotropic thermal displacement parameters (<span
3669class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3670
3671<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3672auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3673style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3674style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3675style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3676currently in the draw atom table, find all atoms that belong in the
3677coordination sphere around the selected atoms via unit cell translations. NB:
3678symmetry operations are not used in this search.</p>
3679
3680<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3681auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3682style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3683style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3684</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3685cell</b> - using the atoms currently selected from the draw atom table, find
3686all atoms that fall inside or on the edge/surface/corners of the unit cell.
3687This operation is frequently performed before Fill CN-sphere.</p>
3688
3689<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3690auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3691style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3692style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3693</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete atoms</b>
3694&#8211; clear the entire draw atom table; it is then refilled from the Atoms
3695table. You should do this operation after any changes in the Atoms table, e.g.
3696by a structure refinement.</p>
3697
3698<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3699style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3700style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3701&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3702menu gives a choice of geometric calculations to be performed with the selected
3703atoms. You must select the appropriate number of atoms for these to work and
3704the computation is done for the atoms in selection order.</p>
3705
3706<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3707auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3708style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3709style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3710style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3711normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3712a distance, angle or torsion angle will be found for them. The angles are
3713computed for the atoms in their selection order. The torsion angle is a right
3714hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3715estimated standard deviation is given for the calculated value if a current
3716variance-covariance matrix is available. The result is shown on the console
3717window; it may be cut &amp; pasted to another application (e.g. Microsoft
3718Word).</p>
3719
3720<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3721text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3722style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3723style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3724style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3725are selected, a best plane is determined for them. The result is shown on the
3726console window; it may be cut &amp; pasted to another application (e.g.
3727Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3728plane coordinates where the largest range is over the X-axis and the smallest
3729is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3730center of the selection. Root mean square displacements along each axis for the
3731best plane are also listed. The Z-axis RMS value indicates the flatness of the
3732proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3733(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3734atoms with respect to a coordinate system where the X-axis is along the longest
3735axis of the atom grouping and the Z-axis is along the shortest distance. The
3736origin is at the <span class=SpellE>unweighted</span> center of the selected
3737atoms.</p>
3738
3739<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3740
3741<p class=MsoNormal>This gives the list of reflections used in a Pawley
3742refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3743style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3744style='color:#00B0F0'>.</span></p>
3745
3746<h5>What can I do here?</h5>
3747
3748<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3749style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3750style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3751<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3752
3753<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3754auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3755style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3756style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3757style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3758new set of Pawley reflections, over writing any preexisting Pawley set. They
3759are generated with d-<span class=SpellE>spacings</span> larger than the limit
3760set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3761for this phase. By default the refine flags are not set and the <span
3762class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3763class=SpellE>hkl</span>) = 100.0.</p>
3764
3765<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3766auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3767style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3768style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3769style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3770an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3771class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3772reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3773the <a href="#Data">Data</a> tab.</p>
3774
3775<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3776auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3777style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3778style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3779style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3780set of Pawley reflections.</p>
3781
3782<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3784style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3785can change the refine flags either by clicking on the box or by selecting one
3786and then selecting the column (a single click on the column heading). Then type
3787&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3788You should deselect those reflections that fall below the lower limit or above
3789the upper limit of the powder pattern otherwise you may have a singular matrix
3790error in your Pawley refinement.</p>
3791
3792<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3795can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3796class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3797typing in the new value and then pressing enter or selecting somewhere else in
3798the table.</p>
3799
3800<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3801
3802<h4><a name="Map_peaks">Map peaks</a></h4>
3803
3804<span style='mso-bookmark:Map_peaks'></span>
3805
3806<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3807found within the unit cell from the last Fourier map search sorted in order of decreasing
3808peak magnitude. The crystal structure plot shows each peak position as a white
38093-D cross.</p>
3810
3811<h5>What can I do here?</h5>
3812
3813<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3814style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3815style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3816a peak with a left click on the left hand row number, hold Ctrl key down to add
3817more peaks to your selection. Each peak selected will show as a green 3-D cross
3818on the crystal structure plot.</p>
3819
3820<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3821style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3822style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3823<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3824style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3825
3826<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3827auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3828style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3829style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3830style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3831peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3832Atoms</a> list. They will be appended to the end of each list each with the
3833name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3834drawn as small white spheres at their respective positions in the structure
3835drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3836change the atom type to whatever element you desire; it will be renamed
3837automatically.</p>
3838
3839<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3840text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3841style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3842style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3843style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3844the peaks in the map peak list; they are also removed from the crystal
3845structure drawing plot.</p>
3846
3847<div class=MsoNormal align=center style='text-align:center'><span
3848style='mso-fareast-font-family:"Times New Roman"'>
3849
3850<hr size=2 width="100%" align=center>
3851
3852</span></div>
3853
3854<div class=MsoNormal align=center style='text-align:center'><span
3855style='mso-fareast-font-family:"Times New Roman"'>
3856
3857<hr size=2 width="100%" align=center>
3858
3859</span></div>
3860
3861<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3862GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3863style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3864style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3865
3866<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3867window presents all the graphical material as a multipage tabbed set of plots
3868utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3869has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3870
3871<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3872mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3873src=graphbar.jpg
3874alt="Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3875style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3876
3877<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3878are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3879
3880<ul type=disc>
3881 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3882     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3883     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3884 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3885     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3886     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3887 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3888     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3889     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3890     of the Back button <o:p></o:p></span></li>
3891 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3892     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3893     "Times New Roman"'>Pan: allows you to control panning across the plot
3894     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3895 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3896     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3897     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3898     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3899 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3900     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3901     "Times New Roman"'>Save: allows you to save the currently displayed plot
3902     in one of several graphical formats suitable for printing or insertion in
3903     a document.<o:p></o:p></span></li>
3904 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3905     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3906     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3907</ul>
3908
3909<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3910
3911<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3912the toolbar may be a status bar that on the left may show either an instruction
3913for a keyed input or a pull down selection of keyed input; on the right may be
3914displayed position dependent information that is updated as the mouse is moved
3915over the plot region.<o:p></o:p></span></p>
3916
3917<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3918
3919<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3920specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3921
3922<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3923
3924<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3925powder patterns that are part of your project are shown on this page. They can
3926be displayed as a stack of powder patterns, just a single pattern or as a
3927contour image of the peak intensities. What can be done here will depend on
3928which is displayed and on which item in the GSAS-II data tree you have
3929selected.<o:p></o:p></span></p>
3930
3931<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3932
3933<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3934style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3935style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3936style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3937the plot, the plot status line will show the cursor position in 2</span><span
3938style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3939style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3940intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3941Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3942style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3943
3944<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3945style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3946style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3947the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3948press&#8217; </b>&#8211; you can either press the key on the key board or
3949select from the pull down menu. For line plots:</p>
3950
3951<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3952auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3953style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3954style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3955class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3956style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3957plot of multiple powder profiles, increase the offset to the left. Does not
3958apply if only one pattern.</p>
3959
3960<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3961auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3962style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3963style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3964class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3965style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3966of multiple powder profiles, increase the offset to the left. Does not apply if
3967only one pattern.</p>
3968
3969<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3970auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3971style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3972style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3973class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3974style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3975multiple powder profiles, increase the offset down. Does not apply if only one
3976pattern.</p>
3977
3978<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3979auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3980style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3981style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3982class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3983style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3984multiple powder profiles, increase the offset up. Does not apply if only one
3985pattern.</p>
3986
3987<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3988auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3989style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3990style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3991class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3992style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3993of multiple powder profiles, reset to no offset. Does not apply if only one
3994pattern.</p>
3995
3996<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3997auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3998style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3999style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4000class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
4001style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
4002y-axis to be the log10 of the intensity; difference curve is not shown for
4003log(I) on.</p>
4004
4005<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4006auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4007style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
4008style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4009class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
4010style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
4011powder profiles, then a contour plot is shown of the observed intensities. All
4012data sets must be the same length as the first one to be included in the
4013contour plot.</p>
4014
4015<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4016auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4017style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4018style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4019style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4020x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4021style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4022taken at different energies on the same x-axis scale.</p>
4023
4024<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4025auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4026style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4028</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4029normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4030&#8211; for multiple powder profiles, this will show only the one selected from
4031the data tree. The offset options are not active.</p>
4032
4033<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4034auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4035style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
4036style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4037</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4038normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4039sig</b> &#8211; for the pattern selected from the data tree, this will divide
4040the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4041for the data points. Other data sets are not shown.</p>
4042
4043<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4044auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
4046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4047style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4048profiles, only the observed curve is shown.</p>
4049
4050<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4051style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4052style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4053style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4054line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4055
4056<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4057auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4058style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4059style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4060class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4061"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
4062style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
4063style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
4064level chosen for the highest contour color.<o:p></o:p></span></p>
4065
4066<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4067auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4068style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4069style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4070style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4071raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4072&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4073
4074<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4075auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4076style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4077style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4078class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4079"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
4080style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
4081style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4082method used to represent the contours. If selected a dialog box appears with
4083all the possible choices. Default is &#8216;nearest&#8217;; the other useful
4084choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
4085
4086<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4087auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4088style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4089style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4090class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4091"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
4092style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
4093style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4094color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
4095black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
4096black on white) or &#8216;gray&#8217; (for white on black). Others can be very
4097colorful (but not useful)!<o:p></o:p></span></p>
4098
4099<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4100auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0i