source: Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm @ 1684

Last change on this file since 1684 was 1684, checked in by toby, 7 years ago

fix mimetype on a new tutorial

  • Property svn:mime-type set to text/html
File size: 123.5 KB
Line 
1<html xmlns:v="urn:schemas-microsoft-com:vml"
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=windows-1252">
9<meta name=ProgId content=Word.Document>
10<meta name=Generator content="Microsoft Word 15">
11<meta name=Originator content="Microsoft Word 15">
12<link rel=File-List
13href="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/filelist.xml">
14<link rel=Edit-Time-Data
15href="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/editdata.mso">
16<!--[if !mso]>
17<style>
18v\:* {behavior:url(#default#VML);}
19o\:* {behavior:url(#default#VML);}
20w\:* {behavior:url(#default#VML);}
21.shape {behavior:url(#default#VML);}
22</style>
23<![endif]--><!--[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>4</o:Revision>
28  <o:TotalTime>672</o:TotalTime>
29  <o:Created>2015-02-12T20:52:00Z</o:Created>
30  <o:LastSaved>2015-02-18T19:20:00Z</o:LastSaved>
31  <o:Pages>1</o:Pages>
32  <o:Words>2183</o:Words>
33  <o:Characters>12449</o:Characters>
34  <o:Company>Argonne National Laboratory</o:Company>
35  <o:Lines>103</o:Lines>
36  <o:Paragraphs>29</o:Paragraphs>
37  <o:CharactersWithSpaces>14603</o:CharactersWithSpaces>
38  <o:Version>15.00</o:Version>
39 </o:DocumentProperties>
40 <o:OfficeDocumentSettings>
41  <o:AllowPNG/>
42 </o:OfficeDocumentSettings>
43</xml><![endif]-->
44<link rel=themeData
45href="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/themedata.thmx">
46<link rel=colorSchemeMapping
47href="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/colorschememapping.xml">
48<!--[if gte mso 9]><xml>
49 <w:WordDocument>
50  <w:SpellingState>Clean</w:SpellingState>
51  <w:GrammarState>Clean</w:GrammarState>
52  <w:TrackMoves>false</w:TrackMoves>
53  <w:TrackFormatting/>
54  <w:PunctuationKerning/>
55  <w:ValidateAgainstSchemas/>
56  <w:SaveIfXMLInvalid>false</w:SaveIfXMLInvalid>
57  <w:IgnoreMixedContent>false</w:IgnoreMixedContent>
58  <w:AlwaysShowPlaceholderText>false</w:AlwaysShowPlaceholderText>
59  <w:DoNotPromoteQF/>
60  <w:LidThemeOther>EN-US</w:LidThemeOther>
61  <w:LidThemeAsian>X-NONE</w:LidThemeAsian>
62  <w:LidThemeComplexScript>X-NONE</w:LidThemeComplexScript>
63  <w:Compatibility>
64   <w:BreakWrappedTables/>
65   <w:SnapToGridInCell/>
66   <w:WrapTextWithPunct/>
67   <w:UseAsianBreakRules/>
68   <w:DontGrowAutofit/>
69   <w:SplitPgBreakAndParaMark/>
70   <w:EnableOpenTypeKerning/>
71   <w:DontFlipMirrorIndents/>
72   <w:OverrideTableStyleHps/>
73  </w:Compatibility>
74  <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel>
75  <m:mathPr>
76   <m:mathFont m:val="Cambria Math"/>
77   <m:brkBin m:val="before"/>
78   <m:brkBinSub m:val="&#45;-"/>
79   <m:smallFrac m:val="off"/>
80   <m:dispDef/>
81   <m:lMargin m:val="0"/>
82   <m:rMargin m:val="0"/>
83   <m:defJc m:val="centerGroup"/>
84   <m:wrapIndent m:val="1440"/>
85   <m:intLim m:val="subSup"/>
86   <m:naryLim m:val="undOvr"/>
87  </m:mathPr></w:WordDocument>
88</xml><![endif]--><!--[if gte mso 9]><xml>
89 <w:LatentStyles DefLockedState="false" DefUnhideWhenUsed="false"
90  DefSemiHidden="false" DefQFormat="false" DefPriority="99"
91  LatentStyleCount="371">
92  <w:LsdException Locked="false" Priority="0" QFormat="true" Name="Normal"/>
93  <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 1"/>
94  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
95   UnhideWhenUsed="true" QFormat="true" Name="heading 2"/>
96  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
97   UnhideWhenUsed="true" QFormat="true" Name="heading 3"/>
98  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
99   UnhideWhenUsed="true" QFormat="true" Name="heading 4"/>
100  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
101   UnhideWhenUsed="true" QFormat="true" Name="heading 5"/>
102  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
103   UnhideWhenUsed="true" QFormat="true" Name="heading 6"/>
104  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
105   UnhideWhenUsed="true" QFormat="true" Name="heading 7"/>
106  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
107   UnhideWhenUsed="true" QFormat="true" Name="heading 8"/>
108  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
109   UnhideWhenUsed="true" QFormat="true" Name="heading 9"/>
110  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
111   Name="index 1"/>
112  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
113   Name="index 2"/>
114  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
115   Name="index 3"/>
116  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
117   Name="index 4"/>
118  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
119   Name="index 5"/>
120  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
121   Name="index 6"/>
122  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
123   Name="index 7"/>
124  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
125   Name="index 8"/>
126  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
127   Name="index 9"/>
128  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
129   UnhideWhenUsed="true" Name="toc 1"/>
130  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
131   UnhideWhenUsed="true" Name="toc 2"/>
132  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
133   UnhideWhenUsed="true" Name="toc 3"/>
134  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
135   UnhideWhenUsed="true" Name="toc 4"/>
136  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
137   UnhideWhenUsed="true" Name="toc 5"/>
138  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
139   UnhideWhenUsed="true" Name="toc 6"/>
140  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
141   UnhideWhenUsed="true" Name="toc 7"/>
142  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
143   UnhideWhenUsed="true" Name="toc 8"/>
144  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
145   UnhideWhenUsed="true" Name="toc 9"/>
146  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
147   Name="Normal Indent"/>
148  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
149   Name="footnote text"/>
150  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
151   Name="annotation text"/>
152  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
153   Name="header"/>
154  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
155   Name="footer"/>
156  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
157   Name="index heading"/>
158  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
159   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
160  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
161   Name="table of figures"/>
162  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
163   Name="envelope address"/>
164  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
165   Name="envelope return"/>
166  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
167   Name="footnote reference"/>
168  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
169   Name="annotation reference"/>
170  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
171   Name="line number"/>
172  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
173   Name="page number"/>
174  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
175   Name="endnote reference"/>
176  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
177   Name="endnote text"/>
178  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
179   Name="table of authorities"/>
180  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
181   Name="macro"/>
182  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
183   Name="toa heading"/>
184  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
185   Name="List"/>
186  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
187   Name="List Bullet"/>
188  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
189   Name="List Number"/>
190  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
191   Name="List 2"/>
192  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
193   Name="List 3"/>
194  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
195   Name="List 4"/>
196  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
197   Name="List 5"/>
198  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
199   Name="List Bullet 2"/>
200  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
201   Name="List Bullet 3"/>
202  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
203   Name="List Bullet 4"/>
204  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
205   Name="List Bullet 5"/>
206  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
207   Name="List Number 2"/>
208  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
209   Name="List Number 3"/>
210  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
211   Name="List Number 4"/>
212  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
213   Name="List Number 5"/>
214  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
215  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
216   Name="Closing"/>
217  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
218   Name="Signature"/>
219  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
220   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
221  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
222   Name="Body Text"/>
223  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
224   Name="Body Text Indent"/>
225  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
226   Name="List Continue"/>
227  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
228   Name="List Continue 2"/>
229  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
230   Name="List Continue 3"/>
231  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
232   Name="List Continue 4"/>
233  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
234   Name="List Continue 5"/>
235  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
236   Name="Message Header"/>
237  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
238  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
239   Name="Salutation"/>
240  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
241   Name="Date"/>
242  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
243   Name="Body Text First Indent"/>
244  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
245   Name="Body Text First Indent 2"/>
246  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
247   Name="Note Heading"/>
248  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
249   Name="Body Text 2"/>
250  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
251   Name="Body Text 3"/>
252  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
253   Name="Body Text Indent 2"/>
254  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
255   Name="Body Text Indent 3"/>
256  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
257   Name="Block Text"/>
258  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
259   Name="Hyperlink"/>
260  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
261   Name="FollowedHyperlink"/>
262  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
263  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
264  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
265   Name="Document Map"/>
266  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
267   Name="Plain Text"/>
268  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
269   Name="E-mail Signature"/>
270  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
271   Name="HTML Top of Form"/>
272  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
273   Name="HTML Bottom of Form"/>
274  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
275   Name="Normal (Web)"/>
276  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
277   Name="HTML Acronym"/>
278  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
279   Name="HTML Address"/>
280  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
281   Name="HTML Cite"/>
282  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
283   Name="HTML Code"/>
284  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
285   Name="HTML Definition"/>
286  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
287   Name="HTML Keyboard"/>
288  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
289   Name="HTML Preformatted"/>
290  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
291   Name="HTML Sample"/>
292  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
293   Name="HTML Typewriter"/>
294  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
295   Name="HTML Variable"/>
296  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
297   Name="Normal Table"/>
298  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
299   Name="annotation subject"/>
300  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
301   Name="No List"/>
302  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
303   Name="Outline List 1"/>
304  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
305   Name="Outline List 2"/>
306  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
307   Name="Outline List 3"/>
308  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
309   Name="Table Simple 1"/>
310  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
311   Name="Table Simple 2"/>
312  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
313   Name="Table Simple 3"/>
314  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
315   Name="Table Classic 1"/>
316  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
317   Name="Table Classic 2"/>
318  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
319   Name="Table Classic 3"/>
320  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
321   Name="Table Classic 4"/>
322  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
323   Name="Table Colorful 1"/>
324  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
325   Name="Table Colorful 2"/>
326  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
327   Name="Table Colorful 3"/>
328  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
329   Name="Table Columns 1"/>
330  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
331   Name="Table Columns 2"/>
332  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
333   Name="Table Columns 3"/>
334  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
335   Name="Table Columns 4"/>
336  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
337   Name="Table Columns 5"/>
338  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
339   Name="Table Grid 1"/>
340  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
341   Name="Table Grid 2"/>
342  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
343   Name="Table Grid 3"/>
344  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
345   Name="Table Grid 4"/>
346  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
347   Name="Table Grid 5"/>
348  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
349   Name="Table Grid 6"/>
350  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
351   Name="Table Grid 7"/>
352  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
353   Name="Table Grid 8"/>
354  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
355   Name="Table List 1"/>
356  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
357   Name="Table List 2"/>
358  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
359   Name="Table List 3"/>
360  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
361   Name="Table List 4"/>
362  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
363   Name="Table List 5"/>
364  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
365   Name="Table List 6"/>
366  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
367   Name="Table List 7"/>
368  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
369   Name="Table List 8"/>
370  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
371   Name="Table 3D effects 1"/>
372  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
373   Name="Table 3D effects 2"/>
374  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
375   Name="Table 3D effects 3"/>
376  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
377   Name="Table Contemporary"/>
378  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
379   Name="Table Elegant"/>
380  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
381   Name="Table Professional"/>
382  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
383   Name="Table Subtle 1"/>
384  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
385   Name="Table Subtle 2"/>
386  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
387   Name="Table Web 1"/>
388  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
389   Name="Table Web 2"/>
390  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
391   Name="Table Web 3"/>
392  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
393   Name="Balloon Text"/>
394  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
395  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
396   Name="Table Theme"/>
397  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
398  <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
399  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
400  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
401  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
402  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
403  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
404  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
405  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
406  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
407  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
408  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
409  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
410  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
411  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
412  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
413  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
414  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
415  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
416  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
417  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
418  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
419  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
420  <w:LsdException Locked="false" Priority="34" QFormat="true"
421   Name="List Paragraph"/>
422  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
423  <w:LsdException Locked="false" Priority="30" QFormat="true"
424   Name="Intense Quote"/>
425  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
426  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
427  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
428  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
429  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
430  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
431  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
432  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
433  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
434  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
435  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
436  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
439  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
440  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
441  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
442  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
443  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
444  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
445  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
446  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
447  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
448  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
449  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
450  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
453  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
454  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
455  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
456  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
457  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
458  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
459  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
460  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
461  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
462  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
463  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
464  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
467  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
468  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
469  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
470  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
471  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
472  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
473  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
474  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
475  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
476  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
477  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
478  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
481  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
482  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
483  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
484  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
485  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
486  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
487  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
488  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
489  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
490  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
491  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
492  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
495  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
496  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
497  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
498  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
499  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
500  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
501  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
502  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
503  <w:LsdException Locked="false" Priority="19" QFormat="true"
504   Name="Subtle Emphasis"/>
505  <w:LsdException Locked="false" Priority="21" QFormat="true"
506   Name="Intense Emphasis"/>
507  <w:LsdException Locked="false" Priority="31" QFormat="true"
508   Name="Subtle Reference"/>
509  <w:LsdException Locked="false" Priority="32" QFormat="true"
510   Name="Intense Reference"/>
511  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
512  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
513   UnhideWhenUsed="true" Name="Bibliography"/>
514  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
515   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
516  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
517  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
518  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
519  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
520  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
521  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
522  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
523  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
524  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
525  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
526  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
527  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
528  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
529  <w:LsdException Locked="false" Priority="46"
530   Name="Grid Table 1 Light Accent 1"/>
531  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
532  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
533  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
534  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
535  <w:LsdException Locked="false" Priority="51"
536   Name="Grid Table 6 Colorful Accent 1"/>
537  <w:LsdException Locked="false" Priority="52"
538   Name="Grid Table 7 Colorful Accent 1"/>
539  <w:LsdException Locked="false" Priority="46"
540   Name="Grid Table 1 Light Accent 2"/>
541  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
542  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
543  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
544  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
545  <w:LsdException Locked="false" Priority="51"
546   Name="Grid Table 6 Colorful Accent 2"/>
547  <w:LsdException Locked="false" Priority="52"
548   Name="Grid Table 7 Colorful Accent 2"/>
549  <w:LsdException Locked="false" Priority="46"
550   Name="Grid Table 1 Light Accent 3"/>
551  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
552  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
553  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
554  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
555  <w:LsdException Locked="false" Priority="51"
556   Name="Grid Table 6 Colorful Accent 3"/>
557  <w:LsdException Locked="false" Priority="52"
558   Name="Grid Table 7 Colorful Accent 3"/>
559  <w:LsdException Locked="false" Priority="46"
560   Name="Grid Table 1 Light Accent 4"/>
561  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
562  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
563  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
564  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
565  <w:LsdException Locked="false" Priority="51"
566   Name="Grid Table 6 Colorful Accent 4"/>
567  <w:LsdException Locked="false" Priority="52"
568   Name="Grid Table 7 Colorful Accent 4"/>
569  <w:LsdException Locked="false" Priority="46"
570   Name="Grid Table 1 Light Accent 5"/>
571  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
572  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
573  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
574  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
575  <w:LsdException Locked="false" Priority="51"
576   Name="Grid Table 6 Colorful Accent 5"/>
577  <w:LsdException Locked="false" Priority="52"
578   Name="Grid Table 7 Colorful Accent 5"/>
579  <w:LsdException Locked="false" Priority="46"
580   Name="Grid Table 1 Light Accent 6"/>
581  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
582  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
583  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
584  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
585  <w:LsdException Locked="false" Priority="51"
586   Name="Grid Table 6 Colorful Accent 6"/>
587  <w:LsdException Locked="false" Priority="52"
588   Name="Grid Table 7 Colorful Accent 6"/>
589  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
590  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
591  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
592  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
593  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
594  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
595  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
596  <w:LsdException Locked="false" Priority="46"
597   Name="List Table 1 Light Accent 1"/>
598  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
599  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
600  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
601  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
602  <w:LsdException Locked="false" Priority="51"
603   Name="List Table 6 Colorful Accent 1"/>
604  <w:LsdException Locked="false" Priority="52"
605   Name="List Table 7 Colorful Accent 1"/>
606  <w:LsdException Locked="false" Priority="46"
607   Name="List Table 1 Light Accent 2"/>
608  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
609  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
610  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
611  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
612  <w:LsdException Locked="false" Priority="51"
613   Name="List Table 6 Colorful Accent 2"/>
614  <w:LsdException Locked="false" Priority="52"
615   Name="List Table 7 Colorful Accent 2"/>
616  <w:LsdException Locked="false" Priority="46"
617   Name="List Table 1 Light Accent 3"/>
618  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
619  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
620  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
621  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
622  <w:LsdException Locked="false" Priority="51"
623   Name="List Table 6 Colorful Accent 3"/>
624  <w:LsdException Locked="false" Priority="52"
625   Name="List Table 7 Colorful Accent 3"/>
626  <w:LsdException Locked="false" Priority="46"
627   Name="List Table 1 Light Accent 4"/>
628  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
629  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
630  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
631  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
632  <w:LsdException Locked="false" Priority="51"
633   Name="List Table 6 Colorful Accent 4"/>
634  <w:LsdException Locked="false" Priority="52"
635   Name="List Table 7 Colorful Accent 4"/>
636  <w:LsdException Locked="false" Priority="46"
637   Name="List Table 1 Light Accent 5"/>
638  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
639  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
640  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
641  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
642  <w:LsdException Locked="false" Priority="51"
643   Name="List Table 6 Colorful Accent 5"/>
644  <w:LsdException Locked="false" Priority="52"
645   Name="List Table 7 Colorful Accent 5"/>
646  <w:LsdException Locked="false" Priority="46"
647   Name="List Table 1 Light Accent 6"/>
648  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
649  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
650  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
651  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
652  <w:LsdException Locked="false" Priority="51"
653   Name="List Table 6 Colorful Accent 6"/>
654  <w:LsdException Locked="false" Priority="52"
655   Name="List Table 7 Colorful Accent 6"/>
656 </w:LatentStyles>
657</xml><![endif]-->
658<style>
659<!--
660 /* Font Definitions */
661 @font-face
662        {font-family:"Cambria Math";
663        panose-1:2 4 5 3 5 4 6 3 2 4;
664        mso-font-charset:0;
665        mso-generic-font-family:roman;
666        mso-font-pitch:variable;
667        mso-font-signature:-536870145 1107305727 0 0 415 0;}
668@font-face
669        {font-family:Calibri;
670        panose-1:2 15 5 2 2 2 4 3 2 4;
671        mso-font-charset:0;
672        mso-generic-font-family:swiss;
673        mso-font-pitch:variable;
674        mso-font-signature:-536870145 1073786111 1 0 415 0;}
675@font-face
676        {font-family:Tahoma;
677        panose-1:2 11 6 4 3 5 4 4 2 4;
678        mso-font-charset:0;
679        mso-generic-font-family:swiss;
680        mso-font-pitch:variable;
681        mso-font-signature:-520081665 -1073717157 41 0 66047 0;}
682 /* Style Definitions */
683 p.MsoNormal, li.MsoNormal, div.MsoNormal
684        {mso-style-unhide:no;
685        mso-style-qformat:yes;
686        mso-style-parent:"";
687        margin:0in;
688        margin-bottom:.0001pt;
689        mso-pagination:widow-orphan;
690        font-size:12.0pt;
691        font-family:"Times New Roman",serif;
692        mso-fareast-font-family:"Times New Roman";
693        mso-fareast-theme-font:minor-fareast;}
694h1
695        {mso-style-priority:9;
696        mso-style-unhide:no;
697        mso-style-qformat:yes;
698        mso-style-link:"Heading 1 Char";
699        mso-margin-top-alt:auto;
700        margin-right:0in;
701        mso-margin-bottom-alt:auto;
702        margin-left:0in;
703        mso-pagination:widow-orphan;
704        mso-outline-level:1;
705        font-size:24.0pt;
706        font-family:"Times New Roman",serif;
707        mso-fareast-font-family:"Times New Roman";
708        mso-fareast-theme-font:minor-fareast;
709        font-weight:bold;}
710h2
711        {mso-style-priority:9;
712        mso-style-qformat:yes;
713        mso-style-link:"Heading 2 Char";
714        mso-margin-top-alt:auto;
715        margin-right:0in;
716        mso-margin-bottom-alt:auto;
717        margin-left:0in;
718        mso-pagination:widow-orphan;
719        mso-outline-level:2;
720        font-size:18.0pt;
721        font-family:"Times New Roman",serif;
722        mso-fareast-font-family:"Times New Roman";
723        mso-fareast-theme-font:minor-fareast;
724        font-weight:bold;}
725h3
726        {mso-style-noshow:yes;
727        mso-style-priority:9;
728        mso-style-qformat:yes;
729        mso-style-link:"Heading 3 Char";
730        mso-margin-top-alt:auto;
731        margin-right:0in;
732        mso-margin-bottom-alt:auto;
733        margin-left:0in;
734        mso-pagination:widow-orphan;
735        mso-outline-level:3;
736        font-size:13.5pt;
737        font-family:"Times New Roman",serif;
738        mso-fareast-font-family:"Times New Roman";
739        mso-fareast-theme-font:minor-fareast;
740        font-weight:bold;}
741h4
742        {mso-style-noshow:yes;
743        mso-style-priority:9;
744        mso-style-qformat:yes;
745        mso-style-link:"Heading 4 Char";
746        mso-style-next:Normal;
747        margin-top:10.0pt;
748        margin-right:0in;
749        margin-bottom:0in;
750        margin-left:0in;
751        margin-bottom:.0001pt;
752        mso-pagination:widow-orphan lines-together;
753        page-break-after:avoid;
754        mso-outline-level:4;
755        font-size:13.0pt;
756        font-family:"Cambria",serif;
757        mso-ascii-font-family:Cambria;
758        mso-ascii-theme-font:major-latin;
759        mso-fareast-font-family:"Times New Roman";
760        mso-fareast-theme-font:major-fareast;
761        mso-hansi-font-family:Cambria;
762        mso-hansi-theme-font:major-latin;
763        mso-bidi-font-family:"Times New Roman";
764        mso-bidi-theme-font:major-bidi;
765        color:#4F81BD;
766        mso-themecolor:accent1;
767        font-weight:bold;
768        font-style:italic;}
769h5
770        {mso-style-noshow:yes;
771        mso-style-priority:9;
772        mso-style-qformat:yes;
773        mso-style-link:"Heading 5 Char";
774        mso-margin-top-alt:auto;
775        margin-right:0in;
776        mso-margin-bottom-alt:auto;
777        margin-left:0in;
778        mso-pagination:widow-orphan;
779        mso-outline-level:5;
780        font-size:12.0pt;
781        font-family:"Times New Roman",serif;
782        mso-fareast-font-family:"Times New Roman";
783        mso-fareast-theme-font:minor-fareast;
784        color:#4F4FFF;
785        font-weight:bold;}
786a:link, span.MsoHyperlink
787        {mso-style-noshow:yes;
788        mso-style-priority:99;
789        color:black;
790        text-decoration:underline;
791        text-underline:single;}
792a:visited, span.MsoHyperlinkFollowed
793        {mso-style-noshow:yes;
794        mso-style-priority:99;
795        color:purple;
796        text-decoration:underline;
797        text-underline:single;}
798p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
799        {mso-style-noshow:yes;
800        mso-style-priority:99;
801        mso-style-link:"Document Map Char";
802        margin:0in;
803        margin-bottom:.0001pt;
804        mso-pagination:widow-orphan;
805        font-size:8.0pt;
806        font-family:"Tahoma",sans-serif;
807        mso-fareast-font-family:"Times New Roman";
808        mso-fareast-theme-font:minor-fareast;}
809p
810        {mso-style-noshow:yes;
811        mso-style-priority:99;
812        mso-margin-top-alt:auto;
813        margin-right:0in;
814        mso-margin-bottom-alt:auto;
815        margin-left:0in;
816        mso-pagination:widow-orphan;
817        font-size:12.0pt;
818        font-family:"Times New Roman",serif;
819        mso-fareast-font-family:"Times New Roman";
820        mso-fareast-theme-font:minor-fareast;}
821pre
822        {mso-style-noshow:yes;
823        mso-style-priority:99;
824        mso-style-link:"HTML Preformatted Char";
825        margin:0in;
826        margin-bottom:.0001pt;
827        mso-pagination:widow-orphan;
828        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;
829        font-size:10.0pt;
830        font-family:"Courier New";
831        mso-fareast-font-family:"Times New Roman";}
832p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
833        {mso-style-noshow:yes;
834        mso-style-priority:99;
835        mso-style-link:"Balloon Text Char";
836        margin:0in;
837        margin-bottom:.0001pt;
838        mso-pagination:widow-orphan;
839        font-size:8.0pt;
840        font-family:"Tahoma",sans-serif;
841        mso-fareast-font-family:"Times New Roman";
842        mso-fareast-theme-font:minor-fareast;}
843span.MsoPlaceholderText
844        {mso-style-noshow:yes;
845        mso-style-priority:99;
846        mso-style-unhide:no;
847        color:gray;}
848p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
849        {mso-style-noshow:yes;
850        mso-style-priority:1;
851        mso-style-unhide:no;
852        mso-style-qformat:yes;
853        mso-style-parent:"";
854        margin:0in;
855        margin-bottom:.0001pt;
856        mso-pagination:widow-orphan;
857        font-size:12.0pt;
858        font-family:"Times New Roman",serif;
859        mso-fareast-font-family:"Times New Roman";
860        mso-fareast-theme-font:minor-fareast;}
861p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
862        {mso-style-noshow:yes;
863        mso-style-priority:34;
864        mso-style-unhide:no;
865        mso-style-qformat:yes;
866        margin-top:0in;
867        margin-right:0in;
868        margin-bottom:0in;
869        margin-left:.5in;
870        margin-bottom:.0001pt;
871        mso-add-space:auto;
872        mso-pagination:widow-orphan;
873        font-size:12.0pt;
874        font-family:"Times New Roman",serif;
875        mso-fareast-font-family:"Times New Roman";
876        mso-fareast-theme-font:minor-fareast;}
877p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
878        {mso-style-noshow:yes;
879        mso-style-priority:34;
880        mso-style-unhide:no;
881        mso-style-qformat:yes;
882        mso-style-type:export-only;
883        margin-top:0in;
884        margin-right:0in;
885        margin-bottom:0in;
886        margin-left:.5in;
887        margin-bottom:.0001pt;
888        mso-add-space:auto;
889        mso-pagination:widow-orphan;
890        font-size:12.0pt;
891        font-family:"Times New Roman",serif;
892        mso-fareast-font-family:"Times New Roman";
893        mso-fareast-theme-font:minor-fareast;}
894p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
895        {mso-style-noshow:yes;
896        mso-style-priority:34;
897        mso-style-unhide:no;
898        mso-style-qformat:yes;
899        mso-style-type:export-only;
900        margin-top:0in;
901        margin-right:0in;
902        margin-bottom:0in;
903        margin-left:.5in;
904        margin-bottom:.0001pt;
905        mso-add-space:auto;
906        mso-pagination:widow-orphan;
907        font-size:12.0pt;
908        font-family:"Times New Roman",serif;
909        mso-fareast-font-family:"Times New Roman";
910        mso-fareast-theme-font:minor-fareast;}
911p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
912        {mso-style-noshow:yes;
913        mso-style-priority:34;
914        mso-style-unhide:no;
915        mso-style-qformat:yes;
916        mso-style-type:export-only;
917        margin-top:0in;
918        margin-right:0in;
919        margin-bottom:0in;
920        margin-left:.5in;
921        margin-bottom:.0001pt;
922        mso-add-space:auto;
923        mso-pagination:widow-orphan;
924        font-size:12.0pt;
925        font-family:"Times New Roman",serif;
926        mso-fareast-font-family:"Times New Roman";
927        mso-fareast-theme-font:minor-fareast;}
928span.MsoIntenseReference
929        {mso-style-priority:32;
930        mso-style-unhide:no;
931        mso-style-qformat:yes;
932        font-variant:small-caps;
933        color:#C0504D;
934        mso-themecolor:accent2;
935        letter-spacing:.25pt;
936        font-weight:bold;
937        text-decoration:underline;
938        text-underline:single;}
939span.Heading1Char
940        {mso-style-name:"Heading 1 Char";
941        mso-style-priority:9;
942        mso-style-unhide:no;
943        mso-style-locked:yes;
944        mso-style-link:"Heading 1";
945        mso-ansi-font-size:24.0pt;
946        mso-bidi-font-size:24.0pt;
947        font-family:"Times New Roman",serif;
948        mso-ascii-font-family:"Times New Roman";
949        mso-fareast-font-family:"Times New Roman";
950        mso-fareast-theme-font:minor-fareast;
951        mso-hansi-font-family:"Times New Roman";
952        mso-bidi-font-family:"Times New Roman";
953        mso-font-kerning:18.0pt;
954        font-weight:bold;}
955span.Heading2Char
956        {mso-style-name:"Heading 2 Char";
957        mso-style-priority:9;
958        mso-style-unhide:no;
959        mso-style-locked:yes;
960        mso-style-link:"Heading 2";
961        mso-ansi-font-size:18.0pt;
962        mso-bidi-font-size:18.0pt;
963        font-family:"Times New Roman",serif;
964        mso-ascii-font-family:"Times New Roman";
965        mso-fareast-font-family:"Times New Roman";
966        mso-fareast-theme-font:minor-fareast;
967        mso-hansi-font-family:"Times New Roman";
968        mso-bidi-font-family:"Times New Roman";
969        font-weight:bold;}
970span.Heading3Char
971        {mso-style-name:"Heading 3 Char";
972        mso-style-noshow:yes;
973        mso-style-priority:9;
974        mso-style-unhide:no;
975        mso-style-locked:yes;
976        mso-style-link:"Heading 3";
977        mso-ansi-font-size:13.5pt;
978        mso-bidi-font-size:13.5pt;
979        font-family:"Times New Roman",serif;
980        mso-ascii-font-family:"Times New Roman";
981        mso-fareast-font-family:"Times New Roman";
982        mso-fareast-theme-font:minor-fareast;
983        mso-hansi-font-family:"Times New Roman";
984        mso-bidi-font-family:"Times New Roman";
985        font-weight:bold;}
986span.Heading4Char
987        {mso-style-name:"Heading 4 Char";
988        mso-style-noshow:yes;
989        mso-style-priority:9;
990        mso-style-unhide:no;
991        mso-style-locked:yes;
992        mso-style-link:"Heading 4";
993        mso-ansi-font-size:13.0pt;
994        mso-bidi-font-size:13.0pt;
995        font-family:"Cambria",serif;
996        mso-ascii-font-family:Cambria;
997        mso-ascii-theme-font:major-latin;
998        mso-fareast-font-family:"Times New Roman";
999        mso-fareast-theme-font:major-fareast;
1000        mso-hansi-font-family:Cambria;
1001        mso-hansi-theme-font:major-latin;
1002        mso-bidi-font-family:"Times New Roman";
1003        mso-bidi-theme-font:major-bidi;
1004        color:#4F81BD;
1005        mso-themecolor:accent1;
1006        font-weight:bold;
1007        font-style:italic;}
1008span.Heading5Char
1009        {mso-style-name:"Heading 5 Char";
1010        mso-style-noshow:yes;
1011        mso-style-priority:9;
1012        mso-style-unhide:no;
1013        mso-style-locked:yes;
1014        mso-style-link:"Heading 5";
1015        mso-ansi-font-size:12.0pt;
1016        mso-bidi-font-size:12.0pt;
1017        font-family:"Times New Roman",serif;
1018        mso-ascii-font-family:"Times New Roman";
1019        mso-fareast-font-family:"Times New Roman";
1020        mso-fareast-theme-font:minor-fareast;
1021        mso-hansi-font-family:"Times New Roman";
1022        mso-bidi-font-family:"Times New Roman";
1023        color:#4F4FFF;
1024        font-weight:bold;}
1025span.HTMLPreformattedChar
1026        {mso-style-name:"HTML Preformatted Char";
1027        mso-style-noshow:yes;
1028        mso-style-priority:99;
1029        mso-style-unhide:no;
1030        mso-style-locked:yes;
1031        mso-style-link:"HTML Preformatted";
1032        font-family:"Courier New";
1033        mso-ascii-font-family:"Courier New";
1034        mso-fareast-font-family:"Times New Roman";
1035        mso-hansi-font-family:"Courier New";
1036        mso-bidi-font-family:"Courier New";}
1037span.DocumentMapChar
1038        {mso-style-name:"Document Map Char";
1039        mso-style-noshow:yes;
1040        mso-style-priority:99;
1041        mso-style-unhide:no;
1042        mso-style-locked:yes;
1043        mso-style-link:"Document Map";
1044        mso-ansi-font-size:8.0pt;
1045        mso-bidi-font-size:8.0pt;
1046        font-family:"Tahoma",sans-serif;
1047        mso-ascii-font-family:Tahoma;
1048        mso-fareast-font-family:"Times New Roman";
1049        mso-fareast-theme-font:minor-fareast;
1050        mso-hansi-font-family:Tahoma;
1051        mso-bidi-font-family:Tahoma;}
1052span.BalloonTextChar
1053        {mso-style-name:"Balloon Text Char";
1054        mso-style-noshow:yes;
1055        mso-style-priority:99;
1056        mso-style-unhide:no;
1057        mso-style-locked:yes;
1058        mso-style-link:"Balloon Text";
1059        mso-ansi-font-size:8.0pt;
1060        mso-bidi-font-size:8.0pt;
1061        font-family:"Tahoma",sans-serif;
1062        mso-ascii-font-family:Tahoma;
1063        mso-fareast-font-family:"Times New Roman";
1064        mso-fareast-theme-font:minor-fareast;
1065        mso-hansi-font-family:Tahoma;
1066        mso-bidi-font-family:Tahoma;}
1067span.SpellE
1068        {mso-style-name:"";
1069        mso-spl-e:yes;}
1070span.GramE
1071        {mso-style-name:"";
1072        mso-gram-e:yes;}
1073.MsoChpDefault
1074        {mso-style-type:export-only;
1075        mso-default-props:yes;
1076        font-size:10.0pt;
1077        mso-ansi-font-size:10.0pt;
1078        mso-bidi-font-size:10.0pt;
1079        font-family:"Calibri",sans-serif;
1080        mso-ascii-font-family:Calibri;
1081        mso-ascii-theme-font:minor-latin;
1082        mso-fareast-font-family:Calibri;
1083        mso-fareast-theme-font:minor-latin;
1084        mso-hansi-font-family:Calibri;
1085        mso-hansi-theme-font:minor-latin;
1086        mso-bidi-font-family:"Times New Roman";
1087        mso-bidi-theme-font:minor-bidi;}
1088@page WordSection1
1089        {size:8.5in 11.0in;
1090        margin:1.0in 1.0in 1.0in 1.0in;
1091        mso-header-margin:.5in;
1092        mso-footer-margin:.5in;
1093        mso-paper-source:0;}
1094div.WordSection1
1095        {page:WordSection1;}
1096-->
1097</style>
1098<!--[if gte mso 10]>
1099<style>
1100 /* Style Definitions */
1101 table.MsoNormalTable
1102        {mso-style-name:"Table Normal";
1103        mso-tstyle-rowband-size:0;
1104        mso-tstyle-colband-size:0;
1105        mso-style-noshow:yes;
1106        mso-style-priority:99;
1107        mso-style-parent:"";
1108        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1109        mso-para-margin:0in;
1110        mso-para-margin-bottom:.0001pt;
1111        mso-pagination:widow-orphan;
1112        font-size:10.0pt;
1113        font-family:"Calibri",sans-serif;
1114        mso-ascii-font-family:Calibri;
1115        mso-ascii-theme-font:minor-latin;
1116        mso-hansi-font-family:Calibri;
1117        mso-hansi-theme-font:minor-latin;}
1118</style>
1119<![endif]--><!--[if gte mso 9]><xml>
1120 <o:shapedefaults v:ext="edit" spidmax="1026"/>
1121</xml><![endif]--><!--[if gte mso 9]><xml>
1122 <o:shapelayout v:ext="edit">
1123  <o:idmap v:ext="edit" data="1"/>
1124 </o:shapelayout></xml><![endif]-->
1125</head>
1126
1127<body lang=EN-US link=black vlink=purple style='tab-interval:.5in'>
1128
1129<div class=WordSection1>
1130
1131<p class=MsoNormal><span class=Heading1Char><span style='font-size:24.0pt'>Calibration
1132of a TOF powder diffractometer</span></span><b><span style='font-size:14.0pt;
1133color:#365F91;mso-themecolor:accent1;mso-themeshade:191'><o:p></o:p></span></b></p>
1134
1135<p class=MsoNormal>In this tutorial, data collected on the SNS instrument
1136POWGEN, are used. The calibration process will use the fitted positions of all
1137visible peaks in a pattern of NIST SRM 660b La<sup>10</sup>B<sub>6</sub> (a=4.15689Å)
1138obtained in a multiple single peak fit. The positions will be compared to those
1139expected from the known lattice parameters to establish the diffractometer
1140constants (<span class=SpellE>difC</span>, <span class=SpellE>difA</span>, <span
1141class=SpellE>difB</span> and Zero) used for calculating TOF peak positions from
1142d-<span class=SpellE>spacings</span>. For the second part of this tutorial, the
1143suite of peaks will be extended to include every visible peak in the pattern
1144and the peak fitting will include the various profile coefficients thus fully
1145describing the instrument contribution to the peak profiles. Note that menu
1146entries and user input are shown in bold face below as <b style='mso-bidi-font-weight:
1147normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1148minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1149mso-bidi-theme-font:minor-latin'>Help/About GSAS-II</span></b>, which lists
1150first the name of the menu (here <b style='mso-bidi-font-weight:normal'><span
1151style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1152mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1153minor-latin'>Help</span></b>) and second the name of the entry in the menu
1154(here <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1155mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1156Calibri;mso-bidi-theme-font:minor-latin'>About GSAS-II</span></b>).</p>
1157
1158<p class=MsoNormal>If you have not done so already, <u><span style='color:#0070C0'><a
1159href="Starting%20GSAS.htm"><span style='color:windowtext;text-decoration:none;
1160text-underline:none'>start GSAS-II</span></a></span></u>.</p>
1161
1162<h1>Part I. Determine the diffractometer constants</h1>
1163
1164<h2>Step 1: Read in the data file</h2>
1165
1166<p class=MsoNormal><span style='mso-spacerun:yes'> </span>Use the <b
1167style='mso-bidi-font-weight:normal'>Import/Powder data/from GSAS powder data
1168file</b> menu item to read the data file into the current GSAS-II project. </p>
1169
1170<p class=MsoNormal><span style='mso-spacerun:yes'> </span></p>
1171
1172<p class=MsoNormal>A file selection dialog will be shown; its appearance will
1173depend on your OS. Change the search directory to <b style='mso-bidi-font-weight:
1174normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1175minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1176mso-bidi-theme-font:minor-latin'>/Exercises/TOF Powder Calibration</span></b>
1177and then select the file </p>
1178
1179<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1180style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1181mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1182minor-latin'>PG3_17541.gsa</span></b> and press <b style='mso-bidi-font-weight:
1183normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1184minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1185mso-bidi-theme-font:minor-latin'>Open</span></b>.<span style='mso-no-proof:
1186yes'> A window will appear “</span><b style='mso-bidi-font-weight:normal'><span
1187style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1188mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Is this the file you want?</span></b><span
1189style='mso-no-proof:yes'>”. Press Yes.<o:p></o:p></span></p>
1190
1191<p class=MsoNormal><span style='mso-no-proof:yes'>The file selection dialog
1192will reappear; select the </span><b style='mso-bidi-font-weight:normal'><span
1193style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1194mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>PGHR_60-2015A.prm</span></b><span
1195style='mso-no-proof:yes'> file. It contains the POWGEN instrument parameters
1196provided along with the data; this file is in the old GSAS iparm file format
1197and does not include all the instrument parameters used by GSAS-II. This is
1198what we will be improving in this tutorial.<o:p></o:p></span></p>
1199
1200<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1201
1202<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1203 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1204 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1205 <v:stroke joinstyle="miter"/>
1206 <v:formulas>
1207  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1208  <v:f eqn="sum @0 1 0"/>
1209  <v:f eqn="sum 0 0 @1"/>
1210  <v:f eqn="prod @2 1 2"/>
1211  <v:f eqn="prod @3 21600 pixelWidth"/>
1212  <v:f eqn="prod @3 21600 pixelHeight"/>
1213  <v:f eqn="sum @0 0 1"/>
1214  <v:f eqn="prod @6 1 2"/>
1215  <v:f eqn="prod @7 21600 pixelWidth"/>
1216  <v:f eqn="sum @8 21600 0"/>
1217  <v:f eqn="prod @7 21600 pixelHeight"/>
1218  <v:f eqn="sum @10 21600 0"/>
1219 </v:formulas>
1220 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1221 <o:lock v:ext="edit" aspectratio="t"/>
1222</v:shapetype><v:shape id="Picture_x0020_15" o:spid="_x0000_i1057" type="#_x0000_t75"
1223 style='width:300pt;height:187.5pt;visibility:visible;mso-wrap-style:square'>
1224 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image001.png"
1225  o:title=""/>
1226</v:shape><![endif]--><![if !vml]><img border=0 width=400 height=250
1227src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image001.png"
1228v:shapes="Picture_x0020_15"><![endif]></span></p>
1229
1230<p class=MsoNormal>At this point the data tree window will have several entries
1231and the powder pattern will appear. Although it is not necessary in this case,
1232you may wish to change the limits (green &amp; red vertical dashed lines). If
1233so select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1234"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1235minor-latin'>Limits</span></b> item in the GSASII Data tree under <b
1236style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1237mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>PWDR
1238PG3_17541.gsa Bank 1</span></b> and set them as appropriate (usually due to
1239unusable data at the ends of the pattern).</p>
1240
1241<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1242style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_16"
1243 o:spid="_x0000_i1056" type="#_x0000_t75" style='width:468.75pt;height:402pt;
1244 visibility:visible;mso-wrap-style:square'>
1245 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image002.png"
1246  o:title=""/>
1247</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=536
1248src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image003.png"
1249v:shapes="Picture_x0020_16"><![endif]></span></b><span
1250style='mso-spacerun:yes'> </span><b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
1251
1252<h2><span style='mso-spacerun:yes'> </span>Step 2: Select peaks</h2>
1253
1254<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
1255style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1256mso-hansi-theme-font:minor-latin'>PWDR PG3_17541.gsa Bank 1 </span></b>GSASII
1257Data tree item find the <b style='mso-bidi-font-weight:normal'><span
1258style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1259mso-hansi-theme-font:minor-latin'>Peak List</span></b> entry; it will be empty.
1260Select the menu item <b style='mso-bidi-font-weight:normal'><span
1261style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1262mso-hansi-theme-font:minor-latin'>Peak Fitting/Auto search</span></b> to
1263populate the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1264"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1265minor-latin'>Peak List</span></b>. This will select almost every peak in the
1266pattern (I got 66 peaks).</p>
1267
1268<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1269 id="Picture_x0020_17" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:466.5pt;
1270 height:399.75pt;visibility:visible;mso-wrap-style:square'>
1271 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image004.png"
1272  o:title=""/>
1273</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=533
1274src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image005.png"
1275v:shapes="Picture_x0020_17"><![endif]></span></p>
1276
1277<p class=MsoNormal>However, it can fail by selecting a peak multiple times if
1278the data is too noisy. You should check through the list and eliminate any
1279close duplicates (in this instance there didn’t appear to be any). A peak can
1280be eliminated by placing the cursor on the vertical blue line and pressing the
1281right mouse button; the line should vanish and the entry in the table deleted.
1282Notice that the position for the highest TOF peak is misplaced. You can shift
1283it by placing the cursor on the blue line and with the left mouse button down,
1284drag the line to match the peak top (zooming in before can help). If you want
1285you can add more of the unpicked lines to the list (I didn’t). To do this
1286(zooming in helps) place the cursor on a data point at the top of a peak and
1287press the left mouse button. It is easiest to proceed from right to left so the
1288tool tip stays out of the way as you work. For any of these operations the zoom
1289buttons at the bottom left of the plot window must be turned off (NB: one is
1290turned on in the above plot).</p>
1291
1292<h2>Step 3: Fit peaks</h2>
1293
1294<p class=MsoNormal>To do the initial fit to the peaks, select the <b
1295style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1296mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak Fitting/<span
1297class=SpellE>Peakfit</span></span></b> menu item in the <b style='mso-bidi-font-weight:
1298normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1299minor-latin;mso-hansi-theme-font:minor-latin'>Peak List</span></b> data window.
1300GSAS-II will ask for a project name before continuing, enter a name (I chose <b
1301style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1302mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>calibrate</span></b>).
1303The project file (<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1304style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1305mso-hansi-theme-font:minor-latin'>calibrate.gpx</span></b></span>) will be
1306written into your local directory selected in the File Dialog; then the refinement
1307will proceed. The resulting plot will look like (I keyed ‘<b style='mso-bidi-font-weight:
1308normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1309minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>’ and ‘<b
1310style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1311mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>q</span></b>’
1312on the plot to get a <span class=SpellE>sqrt</span>(I) vs q plot which spread
1313out the peaks a bit better than a I vs TOF plot).</p>
1314
1315<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1316 id="_x0000_i1054" type="#_x0000_t75" style='width:525pt;height:450pt;
1317 visibility:visible;mso-wrap-style:square'>
1318 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image006.png"
1319  o:title=""/>
1320</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1321src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image006.png"
1322v:shapes="_x0000_i1054"><![endif]></span></p>
1323
1324<p class=MsoNormal>The fit to the background can be improved by adding more
1325terms; I set the number of <span class=SpellE>chebyschev</span> terms to <b
1326style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1327mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>6</span></b>.
1328The peak positions should also be refined; to set them go back to the <b
1329style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1330mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak List</span></b>
1331data window, select one of the items under the 1<sup>st</sup> <b
1332style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1333mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>refine</span></b>
1334column, select the “<b style='mso-bidi-font-weight:normal'><span
1335style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1336mso-hansi-theme-font:minor-latin'>refine</span></b>” box (the column will turn
1337blue), then press <b style='mso-bidi-font-weight:normal'><span
1338style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1339mso-hansi-theme-font:minor-latin'>y</span></b>. All the position refine boxes
1340will be checked. Then repeat the <b style='mso-bidi-font-weight:normal'><span
1341style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1342mso-hansi-theme-font:minor-latin'>Peak Fitting/<span class=SpellE>Peakfit</span></span></b>
1343menu item; a new plot will appear with a better fit.</p>
1344
1345<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1346 id="_x0000_i1053" type="#_x0000_t75" style='width:525pt;height:450pt;
1347 visibility:visible;mso-wrap-style:square'>
1348 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image007.png"
1349  o:title=""/>
1350</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1351src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image007.png"
1352v:shapes="_x0000_i1053"><![endif]></span></p>
1353
1354<h2>Step 4: Setup for calibration</h2>
1355
1356<p class=MsoNormal>Now that we have a reasonably well fit set of peak
1357positions, we next need to index them with respect to the lattice parameters of
1358the standard. Select the <b style='mso-bidi-font-weight:normal'><span
1359style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1360mso-hansi-theme-font:minor-latin'>Index Peak List</span></b> entry in the
1361GSAS-II Data tree, an empty data window will appear. Populate it by selecting <b
1362style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1363mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Load/Reload</span></b>
1364menu item. The data table will show the positions &amp; intensities along with
1365000 for <span class=SpellE>hkl</span> for each one.</p>
1366
1367<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1368 id="_x0000_i1052" type="#_x0000_t75" style='width:367.5pt;height:225pt;
1369 visibility:visible;mso-wrap-style:square'>
1370 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image008.png"
1371  o:title=""/>
1372</v:shape><![endif]--><![if !vml]><img border=0 width=490 height=300
1373src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image008.png"
1374v:shapes="_x0000_i1052"><![endif]></span></p>
1375
1376<p class=MsoNormal>Next, select the <b style='mso-bidi-font-weight:normal'><span
1377style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1378mso-hansi-theme-font:minor-latin'>Unit Cells List</span></b> from the GSAS-II
1379Data tree. A new window will appear. Change <span class=SpellE>Bravais</span>
1380lattice to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1381"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1382minor-latin'>Pm3m</span></b>, select <b style='mso-bidi-font-weight:normal'><span
1383style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1384mso-hansi-theme-font:minor-latin'>P m 3 m</span></b> for the Space group and
1385enter the lattice parameter (<b style='mso-bidi-font-weight:normal'><span
1386style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1387mso-hansi-theme-font:minor-latin'>4.15689</span></b>) in the <b
1388style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1389mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Unit cell: a
1390=</span></b> box (Press <b style='mso-bidi-font-weight:normal'><span
1391style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1392mso-hansi-theme-font:minor-latin'>Enter</span></b> to set the value). The
1393window should look like</p>
1394
1395<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1396 id="_x0000_i1051" type="#_x0000_t75" style='width:546pt;height:184.5pt;
1397 visibility:visible;mso-wrap-style:square'>
1398 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image009.png"
1399  o:title=""/>
1400</v:shape><![endif]--><![if !vml]><img border=0 width=728 height=246
1401src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image009.png"
1402v:shapes="_x0000_i1051"><![endif]></span></p>
1403
1404<p class=MsoNormal>Press the <b style='mso-bidi-font-weight:normal'><span
1405style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1406mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b>
1407button, the plot should show a suite of red dashed vertical lines giving all
1408the allowed reflection positions which should closely match the blue peak position
1409lines.</p>
1410
1411<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1412 id="Picture_x0020_23" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:560.25pt;
1413 height:450pt;visibility:visible;mso-wrap-style:square'>
1414 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image010.png"
1415  o:title=""/>
1416</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
1417src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image010.png"
1418v:shapes="Picture_x0020_23"><![endif]></span></p>
1419
1420<p class=MsoNormal>The Index Peak List window now shows <span class=SpellE>hkl</span>
1421values for each entry</p>
1422
1423<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1424 id="Picture_x0020_24" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:367.5pt;
1425 height:225pt;visibility:visible;mso-wrap-style:square'>
1426 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image011.png"
1427  o:title=""/>
1428</v:shape><![endif]--><![if !vml]><img border=0 width=490 height=300
1429src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image011.png"
1430v:shapes="Picture_x0020_24"><![endif]></span></p>
1431
1432<p class=MsoNormal>The calibration set up is now complete.</p>
1433
1434<h2>Step 5: Calibration of diffractometer constants</h2>
1435
1436<p class=MsoNormal>As we now have a set of reflection positions each properly
1437indexed so that the d-<span class=SpellE>spacings</span> are known, we can now
1438determine the diffractometer coefficients (C, A, B and Z) that give TOF from
1439d-spacing according to</p>
1440
1441<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1442
1443<p class=MsoNormal><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc
1444   m:val="left"/></m:oMathParaPr><m:oMath><i style='mso-bidi-font-style:normal'><span
1445  style='font-family:"Cambria Math",serif'><m:r>TOF</m:r><m:r>=</m:r><m:r>Cd</m:r><m:r>+</m:r><m:r>A</m:r></span></i><m:sSup><m:sSupPr><span
1446    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1447    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1448    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1449    normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1450    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i
1451  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:f><m:fPr><m:type
1452     m:val="skw"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1453    "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1454    mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i
1455    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>B</m:r></span></i></m:num><m:den><i
1456    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:den></m:f><i
1457  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r><m:r>Z</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
1458style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1459"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
1460mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
1461 id="_x0000_i1025" type="#_x0000_t75" style='width:2in;height:18.75pt'>
1462 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image022.png"
1463  o:title="" chromakey="white"/>
1464</v:shape><![endif]--><![if !vml]><img width=192 height=25
1465src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image018.png"
1466v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
1467
1468<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1469
1470<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1471style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1472mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> from the
1473GSAS-II Data tree. The data window will show</p>
1474
1475<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1476 id="_x0000_i1048" type="#_x0000_t75" style='width:411pt;height:220.5pt;
1477 visibility:visible;mso-wrap-style:square'>
1478 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image014.png"
1479  o:title=""/>
1480</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
1481src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image014.png"
1482v:shapes="_x0000_i1048"><![endif]></span></p>
1483
1484<p class=MsoNormal>And the plot will show the corresponding function curves </p>
1485
1486<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1487 id="Picture_x0020_26" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:560.25pt;
1488 height:450pt;visibility:visible;mso-wrap-style:square'>
1489 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image015.png"
1490  o:title=""/>
1491</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
1492src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image015.png"
1493v:shapes="Picture_x0020_26"><![endif]></span></p>
1494
1495<p class=MsoNormal>Although a previous calibration gave values for <span
1496class=SpellE>difA</span> and Zero, we will start fresh; set them both to zero.
1497Select the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1498style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1499mso-hansi-theme-font:minor-latin'>difC</span></b></span><b style='mso-bidi-font-weight:
1500normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1501minor-latin;mso-hansi-theme-font:minor-latin'> <span class=GramE>Refine</span></span></b>?
1502<span class=GramE>box</span> and do <b style='mso-bidi-font-weight:normal'><span
1503style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1504mso-hansi-theme-font:minor-latin'>Operations/Calibrate</span></b>; the plot
1505will show the result of the calibration</p>
1506
1507<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1508 id="_x0000_i1046" type="#_x0000_t75" style='width:560.25pt;height:450pt;
1509 visibility:visible;mso-wrap-style:square'>
1510 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image016.png"
1511  o:title=""/>
1512</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
1513src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image016.png"
1514v:shapes="_x0000_i1046"><![endif]></span></p>
1515
1516<p class=MsoNormal>It is obvious we have one very bad data point at a short
1517d-spacing. Use the mouse cursor to determine its position (<b style='mso-bidi-font-weight:
1518normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1519minor-latin;mso-hansi-theme-font:minor-latin'>7205.47</span></b>) so we can
1520find it in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1521"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1522minor-latin'>Index Peak List</span></b>. Select that data item from the tree.
1523The bad point is at the bottom of the table; uncheck the <span class=SpellE><b
1524style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1525mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>use</span></b></span>
1526box for it. Go back to <b style='mso-bidi-font-weight:normal'><span
1527style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1528mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> and repeat <b
1529style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1530mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Calibrate</span></b>;
1531the plot will look a lot better.</p>
1532
1533<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1534 id="_x0000_i1045" type="#_x0000_t75" style='width:560.25pt;height:450pt;
1535 visibility:visible;mso-wrap-style:square'>
1536 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image017.png"
1537  o:title=""/>
1538</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
1539src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image017.png"
1540v:shapes="_x0000_i1045"><![endif]></span></p>
1541
1542<p class=MsoNormal>What is shown is the discrepancy between observed and
1543calculated position divided by the position (&#916;T/T) vs d-spacing. The error
1544bars reflect the uncertainty in the fitted peak positions. The red dashed line
1545is obviously zero discrepancy and the blue dashed lines represent the width of
1546a data bin above and below zero (e.g. 2 bins from one blue line to the other)
1547to give you a sense of how significant the discrepancies are. One can improve
1548the fit by including the <span class=SpellE><b style='mso-bidi-font-weight:
1549normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1550minor-latin;mso-hansi-theme-font:minor-latin'>difA</span></b></span> parameter;
1551select it and repeat <b style='mso-bidi-font-weight:normal'><span
1552style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1553mso-hansi-theme-font:minor-latin'>Operations/Calibrate</span></b>. The fit is
1554much improved.</p>
1555
1556<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1557 id="Picture_x0020_35" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
1558 height:450pt;visibility:visible;mso-wrap-style:square'>
1559 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
1560  o:title=""/>
1561</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1562src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
1563v:shapes="Picture_x0020_35"><![endif]></span></p>
1564
1565<p class=MsoNormal>One might get some improvement by refining Zero. I got the f<span
1566style='mso-no-proof:yes'>ollowing new parameters<o:p></o:p></span></p>
1567
1568<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1569 id="Picture_x0020_36" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:411pt;
1570 height:203.25pt;visibility:visible;mso-wrap-style:square'>
1571 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
1572  o:title=""/>
1573</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
1574src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
1575v:shapes="Picture_x0020_36"><![endif]></span></p>
1576
1577<p class=MsoNormal>The fitted values are clearly within one half TOF bin of
1578zero.</p>
1579
1580<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1581 id="Picture_x0020_33" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
1582 height:450pt;visibility:visible;mso-wrap-style:square'>
1583 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
1584  o:title=""/>
1585</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1586src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
1587v:shapes="Picture_x0020_33"><![endif]></span></p>
1588
1589<p class=MsoNormal>As these values have now been established, uncheck all their
1590refinement boxes. These new instrument parameters can be saved for later use;
1591select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1592mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Save
1593profile…</span></b> from the menu. A file name is requested (no extension);
1594this file can be used in place of the old GSAS instrument parameter file when
1595reading new data for this instrument. This ends the first part of this tutorial
1596exercise; you may save the project if you wish, select <b style='mso-bidi-font-weight:
1597normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1598minor-latin;mso-hansi-theme-font:minor-latin'>File/Save project</span></b> from
1599the GSAS-II data tree window. Notice that we did not establish values for the
1600instrument profile coefficients (alpha, beta &amp; sig terms). These will be
1601established in the second part of the tutorial.</p>
1602
1603<h1>Part II. Determine the instrument profile coefficients</h1>
1604
1605<p class=MsoNormal>To best establish the profile coefficients one must have the
1606best model for the fitting. In this case we will change the background function
1607to something more flexible than the 6 term <span class=SpellE>chebyschev</span>
1608function used above and add all visible peaks beyond those found by the
1609automatic procedure used above.</p>
1610
1611<h2>Step 1. Change background</h2>
1612
1613<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1614style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1615mso-hansi-theme-font:minor-latin'>Background</span></b> tree item; you should
1616see</p>
1617
1618<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1619 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:402pt;
1620 height:160.5pt;visibility:visible;mso-wrap-style:square'>
1621 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
1622  o:title=""/>
1623</v:shape><![endif]--><![if !vml]><img border=0 width=536 height=214
1624src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
1625v:shapes="Picture_x0020_18"><![endif]></span></p>
1626
1627<p class=MsoNormal>From the <b style='mso-bidi-font-weight:normal'><span
1628style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1629mso-hansi-theme-font:minor-latin'>Background function</span></b> pulldown,
1630select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1631mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>log
1632interpolate</span></b> and set the <b style='mso-bidi-font-weight:normal'><span
1633style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1634mso-hansi-theme-font:minor-latin'>No. <span class=SpellE>coeff</span>.</span></b>
1635<span class=GramE>to</span> <b style='mso-bidi-font-weight:normal'><span
1636style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1637mso-hansi-theme-font:minor-latin'>10</span></b>. This will select 10 fixed
1638position points across the pattern between the limits located in constant <span
1639class=GramE>log(</span>TOF) steps; this puts more points at the short TOF end
1640of the pattern where the background is changing most rapidly. Return to <b
1641style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1642mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak List</span></b>
1643and do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1644mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak
1645Fitting/<span class=SpellE>Peakfit</span></span></b>; this should give a better
1646fit to the background.</p>
1647
1648<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1649 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1650 height:450pt;visibility:visible;mso-wrap-style:square'>
1651 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
1652  o:title=""/>
1653</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1654src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
1655v:shapes="Picture_x0020_19"><![endif]></span></p>
1656
1657<h2>Step 2. Add more peaks to be fitted</h2>
1658
1659<p class=MsoNormal>Now zoom in on the right hand end of the pattern and select
1660every unmarked peak you can see. Be sure the zoom button is off and you can use
1661the &lt; &gt; buttons to shift the pattern left or right. It is essential to
1662include as many peaks as possible because including them forces the background
1663to its “true” level and thus giving each peak its true shape. The high Q end of
1664my pattern looked like</p>
1665
1666<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1667 id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
1668 height:450pt;visibility:visible;mso-wrap-style:square'>
1669 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
1670  o:title=""/>
1671</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1672src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
1673v:shapes="Picture_x0020_20"><![endif]></span></p>
1674
1675<p class=MsoNormal>When I was done; I had 128 peaks. Do <b style='mso-bidi-font-weight:
1676normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1677minor-latin;mso-hansi-theme-font:minor-latin'>Peak fitting/<span class=SpellE>Peakfit</span></span></b>;
1678all peaks should fit in a few seconds and the background line should drop a bit.</p>
1679
1680<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1681 id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1682 height:450pt;visibility:visible;mso-wrap-style:square'>
1683 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
1684  o:title=""/>
1685</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1686src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
1687v:shapes="Picture_x0020_21"><![endif]></span></p>
1688
1689<p class=MsoNormal>I’ve dragged the difference curve up so you can see it.
1690Notice that it is mostly from position errors; so set the refine boxes for
1691position (<span class=SpellE>i.e</span> pick a box, pick the <b
1692style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1693mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>refine</span></b>
1694column heading &amp; press <b style='mso-bidi-font-weight:normal'><span
1695style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1696mso-hansi-theme-font:minor-latin'>y</span></b>). Repeat <b style='mso-bidi-font-weight:
1697normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1698minor-latin;mso-hansi-theme-font:minor-latin'>Peak Fitting/<span class=SpellE>Peakfit</span></span></b>;
1699the fit will improve. On the console listing before the peak listing the
1700residuals are shown; <span class=SpellE>Rwp</span> ~10.0%</p>
1701
1702<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1703 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
1704 height:450pt;visibility:visible;mso-wrap-style:square'>
1705 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
1706  o:title=""/>
1707</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1708src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
1709v:shapes="Picture_x0020_22"><![endif]></span></p>
1710
1711<p class=MsoNormal>You might want to save the project at this point; do <b
1712style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1713mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1714project</span></b> from the main GSAS-II data tree window.</p>
1715
1716<h2>Step 3. Refine profile coefficients</h2>
1717
1718<p class=MsoNormal>In this step you will be selecting some profile coefficients
1719(alpha to sig-q) for refinement, doing peak fits and hopefully improving the
1720fit to the profile. Occasionally the refinement will diverge or fail; use the <b
1721style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1722mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak
1723fitting/Undo</span></b> command immediately to recover. The Background,
1724Instrument Parameters and Peak List values will all be restored. Select <b
1725style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1726mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
1727Parameters</span></b> from the GSAS-II data tree; the data window will show</p>
1728
1729<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1730 id="Picture_x0020_37" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:411pt;
1731 height:203.25pt;visibility:visible;mso-wrap-style:square'>
1732 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
1733  o:title=""/>
1734</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
1735src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
1736v:shapes="Picture_x0020_37"><![endif]></span></p>
1737
1738<p class=MsoNormal>You should realize that alpha largely affects the sharpness
1739of the leading TOF edge of each peak; larger values mean sharper front edges.
1740Beta terms affect the trailing TOF edge in the same way. Sig terms affect the
1741Gaussian shape component of the peak profiles; larger values result in broader
1742peaks. The coefficients describe the alpha, beta and sig values as follows:</p>
1743
1744<p class=MsoNormal><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:
1745 normal'><span style='font-family:"Cambria Math",serif'><m:r>&#945;</m:r><m:r>=</m:r></span></i><m:f><m:fPr><m:type
1746    m:val="skw"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1747   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1748   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSub><m:sSubPr><span
1749     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1750     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1751     normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1752     normal'><span style='font-family:"Cambria Math",serif'><m:r>&#945;</m:r></span></i></m:e><m:sub><i
1753     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub></m:sSub></m:num><m:den><i
1754   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:den></m:f></m:oMath><![endif]--><![if !msEquation]><span
1755style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1756"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1757top:6.0pt;mso-text-raise:-6.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1758EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1759 type="#_x0000_t75" style='width:48pt;height:19.5pt'>
1760 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image033.png"
1761  o:title="" chromakey="white"/>
1762</v:shape><![endif]--><![if !vml]><img width=64 height=26
1763src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image019.png"
1764v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1765style='mso-spacerun:yes'>    </span><span style='mso-spacerun:yes'> </span><!--[if gte msEquation 12]><m:oMath><i
1766 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
1767   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1768   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1769   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1770   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1771   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub></m:sSub><i
1772 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:f><m:fPr><m:type
1773    m:val="skw"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1774   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1775   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSub><m:sSubPr><span
1776     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1777     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1778     normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1779     normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1780     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:sub></m:sSub></m:num><m:den><m:sSup><m:sSupPr><span
1781     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1782     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1783     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1784     normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1785     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>4</m:r></span></i></m:sup></m:sSup></m:den></m:f><i
1786 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:f><m:fPr><m:type
1787    m:val="skw"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1788   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1789   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSub><m:sSubPr><span
1790     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1791     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1792     normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1793     normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1794     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>q</m:r></span></i></m:sub></m:sSub></m:num><m:den><m:sSup><m:sSupPr><span
1795     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1796     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1797     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1798     normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1799     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup></m:den></m:f></m:oMath><![endif]--><![if !msEquation]><span
1800style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1801"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1802top:7.0pt;mso-text-raise:-7.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1803EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1804 type="#_x0000_t75" style='width:123pt;height:24pt'>
1805 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image035.png"
1806  o:title="" chromakey="white"/>
1807</v:shape><![endif]--><![if !vml]><img width=164 height=32
1808src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image020.png"
1809v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1810style='mso-spacerun:yes'> </span><!--[if gte msEquation 12]><m:oMath><m:sSup><m:sSupPr><span
1811   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1812   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1813   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1814   normal'><span style='font-family:"Cambria Math",serif'><m:r><span
1815    style='mso-spacerun:yes'>      </span></m:r><m:r>&#963;</m:r></span></i></m:e><m:sup><i
1816   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i
1817 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:sSubSup><m:sSubSupPr><span
1818   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1819   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1820   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1821   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1822   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub><m:sup><i
1823   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup><i
1824 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:sSubSup><m:sSubSupPr><span
1825   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1826   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1827   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1828   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1829   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:sub><m:sup><i
1830   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup><m:sSup><m:sSupPr><span
1831   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1832   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1833   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1834   normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1835   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i
1836 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:sSubSup><m:sSubSupPr><span
1837   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1838   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1839   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1840   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1841   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sub><m:sup><i
1842   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup><m:sSup><m:sSupPr><span
1843   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1844   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1845   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1846   normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1847   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>4</m:r></span></i></m:sup></m:sSup><i
1848 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>+</m:r></span></i><m:f><m:fPr><m:type
1849    m:val="skw"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1850   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1851   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSubSup><m:sSubSupPr><span
1852     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1853     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1854     normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i
1855     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1856     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>q</m:r></span></i></m:sub><m:sup><i
1857     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup></m:num><m:den><m:sSup><m:sSupPr><span
1858     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1859     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1860     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
1861     normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i
1862     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup></m:den></m:f></m:oMath><![endif]--><![if !msEquation]><span
1863style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1864"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1865top:7.0pt;mso-text-raise:-7.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1866EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1867 type="#_x0000_t75" style='width:183pt;height:25.5pt'>
1868 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image037.png"
1869  o:title="" chromakey="white"/>
1870</v:shape><![endif]--><![if !vml]><img width=244 height=34
1871src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image021.png"
1872v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
1873
1874<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1875
1876<p class=MsoNormal>The refinable coefficients are: alpha (&#945;<sub>0</sub>), beta-0
1877(<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span style='font-family:
1878   "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:
1879   "Cambria Math";font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
1880   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1881   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub></m:sSub></m:oMath><![endif]--><![if !msEquation]><span
1882style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1883"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1884top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1885EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1886 type="#_x0000_t75" style='width:12pt;height:14.25pt'>
1887 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image039.png"
1888  o:title="" chromakey="white"/>
1889</v:shape><![endif]--><![if !vml]><img width=16 height=19
1890src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image064.png"
1891v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-1 (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
1892   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1893   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1894   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1895   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1896   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:sub></m:sSub></m:oMath><![endif]--><![if !msEquation]><span
1897style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1898"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1899top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1900EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1901 type="#_x0000_t75" style='width:12pt;height:14.25pt'>
1902 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image041.png"
1903  o:title="" chromakey="white"/>
1904</v:shape><![endif]--><![if !vml]><img width=16 height=19
1905src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image065.png"
1906v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-q (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
1907   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1908   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1909   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
1910   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
1911   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>q</m:r></span></i></m:sub></m:sSub></m:oMath><![endif]--><![if !msEquation]><span
1912style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1913"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1914top:4.5pt;mso-text-raise:-4.5pt;mso-ansi-language:EN-US;mso-fareast-language:
1915EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1916 type="#_x0000_t75" style='width:12pt;height:15.75pt'>
1917 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image043.png"
1918  o:title="" chromakey="white"/>
1919</v:shape><![endif]--><![if !vml]><img width=16 height=21
1920src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image066.png"
1921v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-0 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
1922   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1923   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1924   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1925   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1926   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub><m:sup><i
1927   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span
1928style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1929"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1930top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1931EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1932 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
1933 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image045.png"
1934  o:title="" chromakey="white"/>
1935</v:shape><![endif]--><![if !vml]><img width=18 height=19
1936src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image067.png"
1937v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-1 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
1938   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1939   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1940   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1941   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1942   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:sub><m:sup><i
1943   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span
1944style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1945"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1946top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1947EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1948 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
1949 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image047.png"
1950  o:title="" chromakey="white"/>
1951</v:shape><![endif]--><![if !vml]><img width=18 height=19
1952src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image068.png"
1953v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-2 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
1954   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1955   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1956   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1957   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1958   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sub><m:sup><i
1959   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span
1960style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1961"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1962top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1963EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1964 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
1965 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image049.png"
1966  o:title="" chromakey="white"/>
1967</v:shape><![endif]--><![if !vml]><img width=18 height=19
1968src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image069.png"
1969v:shapes="_x0000_i1025"><![endif]></span><![endif]>) and sig-q (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
1970   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1971   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1972   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style:
1973   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#963;</m:r></span></i></m:e><m:sub><i
1974   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>q</m:r></span></i></m:sub><m:sup><i
1975   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span
1976style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1977"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1978top:4.5pt;mso-text-raise:-4.5pt;mso-ansi-language:EN-US;mso-fareast-language:
1979EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1980 type="#_x0000_t75" style='width:13.5pt;height:15.75pt'>
1981 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image051.png"
1982  o:title="" chromakey="white"/>
1983</v:shape><![endif]--><![if !vml]><img width=18 height=21
1984src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image070.png"
1985v:shapes="_x0000_i1025"><![endif]></span><![endif]>). Some of the values given
1986above are probably not appropriate; looking at the difference curve it appears
1987that the peak width is most in error. Refine <b style='mso-bidi-font-weight:
1988normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1989minor-latin;mso-hansi-theme-font:minor-latin'>sig-1</span></b> and <b
1990style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1991mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>sig-2</span></b>.
1992Remember to go back to <b style='mso-bidi-font-weight:normal'><span
1993style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1994mso-hansi-theme-font:minor-latin'>Peak List</span></b> to do the fitting. My <span
1995class=SpellE>Rwp</span> improved to 7.32% and the new coefficients looked like</p>
1996
1997<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1998 id="Picture_x0020_38" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:411pt;
1999 height:220.5pt;visibility:visible;mso-wrap-style:square'>
2000 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
2001  o:title=""/>
2002</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
2003src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
2004v:shapes="Picture_x0020_38"><![endif]></span></p>
2005
2006<p class=MsoNormal>After adding <b style='mso-bidi-font-weight:normal'><span
2007style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2008mso-hansi-theme-font:minor-latin'>sig-0</span></b> and <b style='mso-bidi-font-weight:
2009normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2010minor-latin;mso-hansi-theme-font:minor-latin'>sig-q</span></b> to the refinement,
2011my residual improved slightly to <span class=SpellE>Rwp</span>=6.9%. A zoom
2012view of some peaks around TOF~20000µs</p>
2013
2014<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2015 id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
2016 height:450pt;visibility:visible;mso-wrap-style:square'>
2017 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
2018  o:title=""/>
2019</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2020src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
2021v:shapes="Picture_x0020_25"><![endif]></span></p>
2022
2023<p class=MsoNormal>Suggests that the beta terms are too large, i.e. the
2024trailing edges are calculating too sharp compared to the data. In two steps
2025first add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2026mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>beta-0</span></b>
2027to the refinement and then second add <b style='mso-bidi-font-weight:normal'><span
2028style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2029mso-hansi-theme-font:minor-latin'>beta-1</span></b>. The two refinements improve
2030the fit (<span class=SpellE>Rwp</span>=6.23% after the 1<sup>st</sup> step and <span
2031class=SpellE>Rwp</span>=5.50% after the 2<sup>nd</sup>). The resulting coefficients
2032are</p>
2033
2034<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2035 id="Picture_x0020_39" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:411pt;
2036 height:220.5pt;visibility:visible;mso-wrap-style:square'>
2037 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
2038  o:title=""/>
2039</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
2040src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
2041v:shapes="Picture_x0020_39"><![endif]></span></p>
2042
2043<p class=MsoNormal>And the fit in the above region is now much better.</p>
2044
2045<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2046 id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
2047 height:450pt;visibility:visible;mso-wrap-style:square'>
2048 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
2049  o:title=""/>
2050</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2051src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
2052v:shapes="Picture_x0020_27"><![endif]></span></p>
2053
2054<p class=MsoNormal>The principal errors now seem to be on the front edge of the
2055peaks. After adding <b style='mso-bidi-font-weight:normal'><span
2056style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2057mso-hansi-theme-font:minor-latin'>alpha</span></b> to the refinement, I got <span
2058class=SpellE>Rwp</span>=4.35% and the difference curve is almost flat.</p>
2059
2060<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2061 id="Picture_x0020_28" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
2062 height:450pt;visibility:visible;mso-wrap-style:square'>
2063 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
2064  o:title=""/>
2065</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2066src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
2067v:shapes="Picture_x0020_28"><![endif]></span></p>
2068
2069<p class=MsoNormal>The coefficients are</p>
2070
2071<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2072 id="Picture_x0020_40" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:411pt;
2073 height:220.5pt;visibility:visible;mso-wrap-style:square'>
2074 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image058.png"
2075  o:title=""/>
2076</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
2077src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image058.png"
2078v:shapes="Picture_x0020_40"><![endif]></span></p>
2079
2080<p class=MsoNormal>As this represents a very good fit to the profile, it would
2081be useful to save the project (do <b style='mso-bidi-font-weight:normal'><span
2082style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2083mso-hansi-theme-font:minor-latin'>File/Save project</span></b> from the main
2084GSAS-II data tree menu) and make a new instrument file (do <b style='mso-bidi-font-weight:
2085normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2086minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Save profile</span></b>
2087from the Instrument Parameters menu; you can overwrite the existing one). I did
2088try to refine beta-q; that gave a failed refinement. However, the material used
2089for the calibration (SRM 660b La10B6) does have some sample broadening. As this
2090almost always shows up as a Lorentzian contribution to the peak profiles one
2091can accommodate it by refining <b style='mso-bidi-font-weight:normal'><span
2092style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2093mso-hansi-theme-font:minor-latin'>X</span></b> and <b style='mso-bidi-font-weight:
2094normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2095minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b>. After refining them
2096I get a substantial improvement <span class=SpellE>Rwp</span>=3.24% and there
2097are considerable changes in the other coefficients because they no longer have
2098to compensate for the missing Lorentzian component. Their values then represent
2099the instrument contribution to the profile.</p>
2100
2101<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2102 id="Picture_x0020_41" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:411pt;
2103 height:220.5pt;visibility:visible;mso-wrap-style:square'>
2104 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image059.png"
2105  o:title=""/>
2106</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
2107src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image059.png"
2108v:shapes="Picture_x0020_41"><![endif]></span></p>
2109
2110<p class=MsoNormal>The profile fit is almost perfect</p>
2111
2112<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2113 id="Picture_x0020_31" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:525pt;
2114 height:450pt;visibility:visible;mso-wrap-style:square'>
2115 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image060.png"
2116  o:title=""/>
2117</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2118src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image060.png"
2119v:shapes="Picture_x0020_31"><![endif]></span></p>
2120
2121<p class=MsoNormal>I’ve switched back to a q plot and positioned the difference
2122curve to be about zero.</p>
2123
2124<h2>Step 4. Check diffractometer constants </h2>
2125
2126<p class=MsoNormal>Since these calibration fits for profile coefficients varied
2127the peak positions, a final check on the diffractometer constants is needed. To
2128do this, the new peak positions need to be loaded into the <b style='mso-bidi-font-weight:
2129normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2130minor-latin;mso-hansi-theme-font:minor-latin'>Index Peak List</span></b> (do <b
2131style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2132mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Load/Reload</span></b>
2133in that menu). Notice that the Index peaks are no longer indexed. In <b
2134style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2135mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Unit Cells
2136List</span></b>, press the <b style='mso-bidi-font-weight:normal'><span
2137style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2138mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b>
2139button; this will index the lines. The go to <b style='mso-bidi-font-weight:
2140normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2141minor-latin;mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b>
2142and uncheck all the profile coefficient <b style='mso-bidi-font-weight:normal'><span
2143style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2144mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span>;
2145then check those you varied at the beginning of the tutorial (<span
2146class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2147"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2148minor-latin'>difC</span></b></span>, <span class=SpellE><b style='mso-bidi-font-weight:
2149normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2150minor-latin;mso-hansi-theme-font:minor-latin'>difA</span></b></span> &amp; <b
2151style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2152mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Zero</span></b>).
2153Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2154mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Calibrate</span></b>.
2155The agreement shows some deviations at very short d-spacing that weren’t
2156evident in the initial calibration.</p>
2157
2158<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2159 id="Picture_x0020_42" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
2160 height:450pt;visibility:visible;mso-wrap-style:square'>
2161 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image061.png"
2162  o:title=""/>
2163</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2164src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image061.png"
2165v:shapes="Picture_x0020_42"><![endif]></span></p>
2166
2167<p class=MsoNormal>You will need to add the <span class=SpellE><b
2168style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2169mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>difB</span></b></span>
2170parameter to the fit. Check the box and repeat <b style='mso-bidi-font-weight:
2171normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2172minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Calibrate</span></b>.
2173The fit now is better apart from a few stragglers at low d-<span class=SpellE>spacings</span></p>
2174
2175<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2176 id="Picture_x0020_43" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
2177 height:450pt;visibility:visible;mso-wrap-style:square'>
2178 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image062.png"
2179  o:title=""/>
2180</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
2181src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image062.png"
2182v:shapes="Picture_x0020_43"><![endif]></span></p>
2183
2184<p class=MsoNormal>These are very weak peaks whose position was poorly
2185determined. Almost all the rest are within a 1TOF bin width around zero. Save
2186the project <b style='mso-bidi-font-weight:normal'><span style='font-family:
2187"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2188minor-latin'>(File/Save project</span></b> in the main GSAS-II data tree menu).</p>
2189
2190<h2>Step 5. Make instrument parameter file</h2>
2191
2192<p class=MsoNormal>We now have a fully calibrated instrument with
2193diffractometer coefficients and profile coefficients. Uncheck all refinement
2194boxes and set <b style='mso-bidi-font-weight:normal'><span style='font-family:
2195"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2196minor-latin'>X</span></b> and <b style='mso-bidi-font-weight:normal'><span
2197style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2198mso-hansi-theme-font:minor-latin'>Y</span></b> back to zero. You should have</p>
2199
2200<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2201 id="Picture_x0020_45" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:411pt;
2202 height:203.25pt;visibility:visible;mso-wrap-style:square'>
2203 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image063.png"
2204  o:title=""/>
2205</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
2206src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image063.png"
2207v:shapes="Picture_x0020_45"><![endif]></span></p>
2208
2209<p class=MsoNormal>This removes from the instrument parameters any sample broadening
2210effects and thus the remaining parameters are only dependent on the instrument.
2211To make an instrument parameter file do <b style='mso-bidi-font-weight:normal'><span
2212style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2213mso-hansi-theme-font:minor-latin'>Operations/Save profile</span></b>; choose a
2214suitable name expressing the particular instrument configuration used in
2215collecting the calibration data. I named it <b style='mso-bidi-font-weight:
2216normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2217minor-latin;mso-hansi-theme-font:minor-latin'>POWGEN_1066.instprm</span></b> (with
2218the default extension) to reflect the wavelength band used to collect it on
2219POWGEN. This completes this tutorial.</p>
2220
2221<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2222
2223</div>
2224
2225</body>
2226
2227</html>
Note: See TracBrowser for help on using the repository browser.