Changeset 1307


Ignore:
Timestamp:
Apr 28, 2014 3:20:41 PM (8 years ago)
Author:
vondreele
Message:

sequential tutorial files; removed Step 0.

Location:
trunk/help
Files:
94 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/SequentialTutorial.htm

    r1293 r1307  
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    2422 <o:DocumentProperties>
    2523  <o:Author>B Toby</o:Author>
    26   <o:LastAuthor>B Toby</o:LastAuthor>
    27   <o:Revision>2</o:Revision>
    28   <o:TotalTime>229</o:TotalTime>
     24  <o:LastAuthor>Von Dreele</o:LastAuthor>
     25  <o:Revision>3</o:Revision>
     26  <o:TotalTime>234</o:TotalTime>
    2927  <o:Created>2014-04-21T20:04:00Z</o:Created>
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     28  <o:LastSaved>2014-04-25T20:17:00Z</o:LastSaved>
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    3432  <o:Company>Argonne National Laboratory</o:Company>
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    11211007        mso-level-tab-stop:none;
     
    11311017<style>
    11321018 /* Style Definitions */
    1133 table.MsoNormalTable
     1019 table.MsoNormalTable
    11341020        {mso-style-name:"Table Normal";
    11351021        mso-tstyle-rowband-size:0;
     
    11431029        mso-pagination:widow-orphan;
    11441030        font-size:10.0pt;
    1145         font-family:Cambria;}
     1031        font-family:"Cambria","serif";}
    11461032</style>
    1147 <![endif]--><!--[if gte mso 9]><xml>
    1148  <o:shapedefaults v:ext="edit" spidmax="1048"/>
     1033<![endif]-->
     1034<meta name=Title content="">
     1035<meta name=Keywords content="">
     1036<!--[if gte mso 9]><xml>
     1037 <o:shapedefaults v:ext="edit" spidmax="1047"/>
    11491038</xml><![endif]--><!--[if gte mso 9]><xml>
    11501039 <o:shapelayout v:ext="edit">
     
    11571046<div class=WordSection1>
    11581047
    1159 <h1>Sequential refinement of multiple datasets &#8211; CuCr<sub>2</sub>O<sub>4</sub>
     1048<h1>Sequential refinement of multiple datasets – CuCr<sub>2</sub>O<sub>4</sub>
    11601049from 7 K to 300 K</h1>
    11611050
     
    11641053<p class=MsoNormal>Sequential refinement is a way to fit a series of datasets
    11651054with a set of closely related models that evolve over the course of the
    1166 measurements. <span style="mso-spacerun:yes">&nbsp;</span>Sequential
    1167 refinements can be performed in three different ways: </p>
    1168 
    1169 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo7'><![if !supportLists]><span
    1170 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1171 style='mso-list:Ignore'>(1)<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
    1172 class=GramE>with</span> differing starting parameters for each histogram</p>
    1173 
    1174 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo7'><![if !supportLists]><span
    1175 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1176 style='mso-list:Ignore'>(2)<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
    1177 class=GramE>with</span> the same starting parameters for each histogram</p>
    1178 
    1179 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo7'><![if !supportLists]><span
    1180 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1181 style='mso-list:Ignore'>(3)<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
     1055measurements.<span style='mso-spacerun:yes'>  </span>Sequential refinements can
     1056be performed in three different ways: </p>
     1057
     1058<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
     1059style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1060style='mso-list:Ignore'>(1)<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>with
     1061differing starting parameters for each histogram</p>
     1062
     1063<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
     1064style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1065style='mso-list:Ignore'>(2)<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>with
     1066the same starting parameters for each histogram</p>
     1067
     1068<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
     1069style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1070style='mso-list:Ignore'>(3)<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><span
    11821071class=GramE>where</span> the resulting parameters after refinement with a
    11831072histogram are used as the starting point for the next histogram.</p>
     
    11871076<p class=MsoNormal>In this example, we will fit a temperature series. Note that
    11881077it is also possible to fit a temperature series as a combined refinement and,
    1189 as will be seen, one can still deal with thermal expansion (using the Hydrostatic/Elastic
    1190 strain terms), but a combined refinement would average the atomic parameters
    1191 across all temperatures. </p>
     1078as will be seen, one can still deal with thermal expansion (using the
     1079Hydrostatic/Elastic strain terms), but a combined refinement would average the
     1080atomic parameters across all temperatures. </p>
    11921081
    11931082<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    11961085of GSAS-II for simple refinements.</p>
    11971086
     1087<h2>Step 1: Fit a single temperature. </h2>
     1088
    11981089<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    11991090
    1200 <h2>Step 0: Download the input files</h2>
    1201 
    1202 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    1203 
    1204 <p class=MsoNormal>Download file SeqTut.zip from <a
    1205 href="https://subversion.xray.aps.anl.gov/pyGSAS/trunk/Exercises/sequential/SeqTut.zip">https://subversion.xray.aps.anl.gov/pyGSAS/trunk/Exercises/sequential/SeqTut.zip</a>.
    1206 Note that it is not necessary to extract the files from the ZIP archive, as
    1207 this will be done within the program. Alternately, this file can be found in
    1208 the <span style='font-family:Courier'>GSASII/Exercises/sequential</span>
    1209 directory. </p>
    1210 
    1211 <h2>Step 1: Fit a single temperature. </h2>
    1212 
    1213 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    1214 
    1215 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1216 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1217 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1091<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1092style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1093style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    12181094</span></span></span><![endif]>Start GSAS-II</p>
    12191095
    12201096<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    12211097
    1222 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1223 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1224 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1098<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1099style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1100style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    12251101</span></span></span><![endif]><!--[if gte vml 1]><v:shapetype id="_x0000_t75"
    12261102 coordsize="21600,21600" o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe"
     
    12431119 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    12441120 <o:lock v:ext="edit" aspectratio="t"/>
    1245 </v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_s1047" type="#_x0000_t75"
     1121</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_s1046" type="#_x0000_t75"
    12461122 style='position:absolute;left:0;text-align:left;margin-left:151.8pt;
    12471123 margin-top:0;width:203pt;height:69.5pt;z-index:251659264;visibility:visible;
     
    12541130 <v:imagedata src="SequentialTutorial_files/image001.png" o:title=""/>
    12551131 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1256 </v:shape><![endif]--><![if !vml]><img width=205 height=72
    1257 src="SequentialTutorial_files/image002.png" align=right hspace=9 v:shapes="Picture_x0020_1"><![endif]>Use
     1132</v:shape><![endif]--><![if !vml]><img width=271 height=93
     1133src="SequentialTutorial_files/image002.jpg" align=right hspace=12 v:shapes="Picture_x0020_1"><![endif]>Use
    12581134the Import/Phase/from CIF file menu item to read the phase information </p>
    12591135
    12601136<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    12611137
    1262 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1263 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1264 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1138<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1139style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1140style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    12651141</span></span></span><![endif]>In the file browser dialog window that is
    1266 created, change the file type from ÒCIF fileÓ to Òzip archiveÓ and select the
    1267 downloaded <span style='font-family:Courier'>SeqTut.zip</span> file (you may
    1268 need to navigate to the directory <!--[if gte vml 1]><v:shape id="Picture_x0020_2"
    1269  o:spid="_x0000_s1046" type="#_x0000_t75" style='position:absolute;left:0;
    1270  text-align:left;margin-left:148.8pt;margin-top:432.2pt;width:200pt;height:156.65pt;
    1271  z-index:251658240;visibility:visible;mso-wrap-style:square;
     1142created, change the file type from “CIF file” to “zip archive” and select <span
     1143style='font-family:Courier'>SeqTut.zip</span> file (change the file directory
     1144to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1145mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Exercises/sequential</span></b>).
     1146Another dialog window will be created showing all the files in the zip archive.
     1147To simplify the view to only show the phase files, type “<span class=SpellE>cif</span>”
     1148(or “CIF” – case is ignored) into the filter. Select the <span
     1149style='font-family:Courier'>CuCr2O4.cif</span> and the <span class=SpellE><span
     1150style='font-family:Courier'>CuO.cif</span></span> input files. Press OK. </p>
     1151
     1152<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1153
     1154<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1155style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1156style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     1157</span></span></span><![endif]>You will be asked sequentially for the name for
     1158each phase. The defaults (CuCr2O4 and <span class=SpellE>CuO</span>) are fine,
     1159so OK can be pressed for each question.<span style='mso-spacerun:yes'> 
     1160</span>(Note that if files CuCr2O4.cif or the <span class=SpellE>CuO.cif</span>
     1161already exist, you will be asked to OK overwriting them.)</p>
     1162
     1163<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     1164
     1165<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1166style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1167style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     1168</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_21"
     1169 o:spid="_x0000_s1045" type="#_x0000_t75" style='position:absolute;left:0;
     1170 text-align:left;margin-left:161.8pt;margin-top:0;width:213pt;height:89pt;
     1171 z-index:251675648;visibility:visible;mso-wrap-style:square;
    12721172 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
    12731173 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    12741174 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    1275  mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
     1175 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    12761176 mso-position-vertical-relative:margin;mso-width-percent:0;
    12771177 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    12781178 <v:imagedata src="SequentialTutorial_files/image003.png" o:title=""/>
    12791179 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1280 </v:shape><![endif]--><![if !vml]><img width=202 height=159
    1281 src="SequentialTutorial_files/image004.png" align=right hspace=9 v:shapes="Picture_x0020_2"><![endif]>where
    1282 that file was downloaded.) Another dialog window will be created showing all
    1283 the files in the zip archive. To simplify the view to only show the phase
    1284 files, type Ò<span class=SpellE>cif</span>Ó (or ÒCIFÓ &#8211; case is ignored)
    1285 into the filter. Select the <span style='font-family:Courier'>CuCr2O4.cif</span>
    1286 and the <span class=SpellE><span style='font-family:Courier'>CuO.cif</span></span>
    1287 input <span class=GramE>files</span>. Press OK. </p>
    1288 
    1289 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1290 
    1291 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1292 
    1293 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1294 
    1295 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1296 
    1297 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1298 
    1299 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1300 
    1301 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1302 
    1303 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1304 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1305 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    1306 </span></span></span><![endif]>You will be asked sequentially for the name for
    1307 each phase. The defaults (CuCr2O4 and <span class=SpellE>CuO</span>) are fine,
    1308 so OK can be pressed for each question.<span style="mso-spacerun:yes">&nbsp;
    1309 </span>(Note that if files CuCr2O4.cif or the <span class=SpellE>CuO.cif</span>
    1310 already exist, you will be asked to OK overwriting them.)</p>
    1311 
    1312 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1313 
    1314 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1315 
    1316 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1317 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1318 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    1319 </span></span></span><![endif]><!--[if gte vml 1]><v:shape id="_x0000_s1045"
    1320  type="#_x0000_t75" style='position:absolute;left:0;text-align:left;
    1321  margin-left:161.8pt;margin-top:0;width:213pt;height:89pt;z-index:251675648;
    1322  visibility:visible;mso-wrap-style:square;mso-wrap-distance-left:9pt;
    1323  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    1324  mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    1325  mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    1326  mso-position-vertical-relative:margin'>
    1327  <v:imagedata src="SequentialTutorial_files/image005.png" o:title=""/>
    1328  <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1329 </v:shape><![endif]--><![if !vml]><img width=215 height=91
    1330 src="SequentialTutorial_files/image006.png" align=right hspace=9 v:shapes="_x0000_s1045"><![endif]><span
    1331 style="mso-spacerun:yes">&nbsp;</span>Read in the ~7 K dataset (OH_00.fxye)
    1332 using Import/Powder Data/from GSAS powder data file to open a file browser. Again
    1333 select Òzip archiveÓ and the downloaded <span style='font-family:Courier'>SeqTut.zip</span>
     1180</v:shape><![endif]--><![if !vml]><img width=284 height=119
     1181src="SequentialTutorial_files/image004.jpg" align=right hspace=12 v:shapes="Picture_x0020_21"><![endif]><span
     1182style='mso-spacerun:yes'> </span>Read in the ~7 K dataset (OH_00.fxye) using
     1183Import/Powder Data/from GSAS powder data file to open a file browser. Again
     1184select “zip archive” and the downloaded <span style='font-family:Courier'>SeqTut.zip</span>
    13341185file. Select file <span style='font-family:Courier'>OH_00.fxye</span> (use of
    13351186the filter can again be helpful) and press OK. </p>
     
    13451196  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
    13461197  mso-width-relative:page;mso-height-relative:page'>
    1347   <v:imagedata src="SequentialTutorial_files/image007.png" o:title=""/>
     1198  <v:imagedata src="SequentialTutorial_files/image005.png" o:title=""/>
    13481199  <w:wrap type="topAndBottom"/>
    13491200 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
    13501201 <table cellpadding=0 cellspacing=0>
    13511202  <tr>
    1352    <td width=36 height=0></td>
     1203   <td width=48 height=0></td>
    13531204  </tr>
    13541205  <tr>
    13551206   <td></td>
    1356    <td><img width=164 height=159 src="SequentialTutorial_files/image008.png"
     1207   <td><img width=216 height=210 src="SequentialTutorial_files/image006.png"
    13571208   v:shapes="Picture_x0020_3"></td>
    13581209  </tr>
     
    13641215
    13651216<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    1366 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1057" type="#_x0000_t75"
    1367  style='width:238pt;height:125pt;visibility:visible;mso-wrap-style:square'>
    1368  <v:imagedata src="SequentialTutorial_files/image009.png" o:title=""/>
    1369 </v:shape><![endif]--><![if !vml]><img border=0 width=240 height=127
    1370 src="SequentialTutorial_files/image010.png" v:shapes="_x0000_i1057"><![endif]></span></p>
     1217mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_1" o:spid="_x0000_i1057"
     1218 type="#_x0000_t75" style='width:237.75pt;height:125.25pt;visibility:visible;
     1219 mso-wrap-style:square'>
     1220 <v:imagedata src="SequentialTutorial_files/image007.png" o:title=""/>
     1221</v:shape><![endif]--><![if !vml]><img width=317 height=167
     1222src="SequentialTutorial_files/image008.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
    13711223
    13721224<p class=MsoListParagraphCxSpMiddle>Note that the instrument parameter file
     
    13761228<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    13771229
    1378 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1379 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1380 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1230<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1231style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1232style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    13811233</span></span></span><![endif]>Map the phases to the data: After reading in the
    13821234dataset, a window used to select phases is shown. Select both phases and press
    1383 OK.<span style="mso-spacerun:yes">&nbsp; </span></p>
     1235OK.<span style='mso-spacerun:yes'>  </span></p>
    13841236
    13851237<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    13861238mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" o:spid="_x0000_i1056"
    1387  type="#_x0000_t75" style='width:176pt;height:146pt;visibility:visible;
     1239 type="#_x0000_t75" style='width:176.25pt;height:146.25pt;visibility:visible;
    13881240 mso-wrap-style:square'>
    1389  <v:imagedata src="SequentialTutorial_files/image011.png" o:title=""/>
    1390 </v:shape><![endif]--><![if !vml]><img border=0 width=178 height=148
    1391 src="SequentialTutorial_files/image012.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    1392 
    1393 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1394 
    1395 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1396 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1397 style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1241 <v:imagedata src="SequentialTutorial_files/image009.png" o:title=""/>
     1242</v:shape><![endif]--><![if !vml]><img width=235 height=195
     1243src="SequentialTutorial_files/image010.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     1244
     1245<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1246
     1247<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1248style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1249style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    13981250</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
    13991251 o:spid="_x0000_s1043" type="#_x0000_t75" style='position:absolute;left:0;
    14001252 text-align:left;margin-left:199.05pt;margin-top:0;width:250.25pt;height:127.15pt;
    14011253 z-index:251677696;visibility:visible;mso-wrap-style:square;
    1402  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1254 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1255 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    14031256 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    14041257 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    1405  mso-position-vertical-relative:margin'>
    1406  <v:imagedata src="SequentialTutorial_files/image013.png" o:title=""/>
     1258 mso-position-vertical-relative:margin;mso-width-percent:0;
     1259 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1260 <v:imagedata src="SequentialTutorial_files/image011.png" o:title=""/>
    14071261 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1408 </v:shape><![endif]--><![if !vml]><img width=252 height=129
    1409 src="SequentialTutorial_files/image014.png" align=right hspace=9 v:shapes="Picture_x0020_4"><![endif]>We
     1262</v:shape><![endif]--><![if !vml]><img width=334 height=170
     1263src="SequentialTutorial_files/image012.png" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>We
    14101264want to fit the lattice parameters, background, and a phase fraction
    1411 initially.<span style="mso-spacerun:yes">&nbsp; </span>To illustrate how
    1412 constraints are used, we will refine both phase fractions, but constrain their
    1413 sum to be one. To set up the constraint, click on the Constraints item in the
    1414 data tree and the Select tab/ÓHistogram/PhaseÓ <span class=GramE>menu<span
    1415 style="mso-spacerun:yes">&nbsp; </span>item</span>, and then click on the
    1416 Edit/Add constraint menu item.</p>
     1265initially.<span style='mso-spacerun:yes'>  </span>To illustrate how constraints
     1266are used, we will refine both phase fractions, but constrain their sum to be
     1267one. To set up the constraint, click on the Constraints item in the data tree
     1268and the Select tab/”Histogram/Phase” menu<span style='mso-spacerun:yes'> 
     1269</span>item, and then click on the Edit/Add constraint menu item.</p>
    14171270
    14181271<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
     
    14201273 type="#_x0000_t75" style='width:78pt;height:54pt;visibility:visible;
    14211274 mso-wrap-style:square'>
    1422  <v:imagedata src="SequentialTutorial_files/image015.png" o:title=""/>
    1423 </v:shape><![endif]--><![if !vml]><img border=0 width=80 height=56
    1424 src="SequentialTutorial_files/image016.png" v:shapes="Picture_x0020_5"><![endif]></span><span
    1425 style="mso-spacerun:yes">&nbsp;</span></p>
     1275 <v:imagedata src="SequentialTutorial_files/image013.png" o:title=""/>
     1276</v:shape><![endif]--><![if !vml]><img width=104 height=72
     1277src="SequentialTutorial_files/image014.jpg" v:shapes="Picture_x0020_5"><![endif]></span><span
     1278style='mso-spacerun:yes'> </span></p>
    14261279
    14271280<p class=MsoListParagraphCxSpMiddle>In the next window, select the phase
     
    14321285<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    14331286mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8" o:spid="_x0000_i1054"
    1434  type="#_x0000_t75" style='width:328pt;height:129pt;visibility:visible;
     1287 type="#_x0000_t75" style='width:327.75pt;height:129pt;visibility:visible;
     1288 mso-wrap-style:square'>
     1289 <v:imagedata src="SequentialTutorial_files/image015.png" o:title=""/>
     1290</v:shape><![endif]--><![if !vml]><img width=437 height=172
     1291src="SequentialTutorial_files/image016.png" v:shapes="Picture_x0020_8"><![endif]></span><span
     1292style='mso-spacerun:yes'> </span></p>
     1293
     1294<p class=MsoListParagraphCxSpMiddle>In the next window, select either the other
     1295phase fraction (<span style='font-family:Courier'>1:0<span class=GramE>:Scale</span>)</span><span
     1296style='mso-ascii-font-family:Cambria;mso-ascii-theme-font:minor-latin;
     1297mso-hansi-font-family:Cambria;mso-hansi-theme-font:minor-latin'> or select all
     1298phases (</span><span style='font-family:Courier'>all:0:Scale</span><span
     1299style='mso-ascii-font-family:Cambria;mso-ascii-theme-font:minor-latin;
     1300mso-hansi-font-family:Cambria;mso-hansi-theme-font:minor-latin'>)<o:p></o:p></span></p>
     1301
     1302<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
     1303mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1053"
     1304 type="#_x0000_t75" style='width:338.25pt;height:129.75pt;visibility:visible;
    14351305 mso-wrap-style:square'>
    14361306 <v:imagedata src="SequentialTutorial_files/image017.png" o:title=""/>
    1437 </v:shape><![endif]--><![if !vml]><img border=0 width=330 height=131
    1438 src="SequentialTutorial_files/image018.png" v:shapes="Picture_x0020_8"><![endif]></span><span
    1439 style="mso-spacerun:yes">&nbsp;</span></p>
    1440 
    1441 <p class=MsoListParagraphCxSpMiddle>In the next window, select either the other
    1442 phase fraction (<span style='font-family:Courier'>1:0:Scale)</span><span
    1443 style='mso-ascii-font-family:Cambria;mso-ascii-theme-font:minor-latin;
    1444 mso-hansi-font-family:Cambria;mso-hansi-theme-font:minor-latin'> or select all
    1445 phases (</span><span style='font-family:Courier'>all:0<span class=GramE>:Scale</span></span><span
    1446 style='mso-ascii-font-family:Cambria;mso-ascii-theme-font:minor-latin;
    1447 mso-hansi-font-family:Cambria;mso-hansi-theme-font:minor-latin'>)<o:p></o:p></span></p>
    1448 
    1449 <p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    1450 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1053"
    1451  type="#_x0000_t75" style='width:338pt;height:130pt;visibility:visible;
    1452  mso-wrap-style:square'>
    1453  <v:imagedata src="SequentialTutorial_files/image019.png" o:title=""/>
    1454 </v:shape><![endif]--><![if !vml]><img border=0 width=340 height=132
    1455 src="SequentialTutorial_files/image020.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     1307</v:shape><![endif]--><![if !vml]><img width=451 height=173
     1308src="SequentialTutorial_files/image018.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    14561309
    14571310<p class=MsoListParagraphCxSpMiddle>This creates the desired constraint, which
     
    14611314<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    14621315mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11" o:spid="_x0000_i1052"
    1463  type="#_x0000_t75" style='width:254pt;height:129pt;visibility:visible;
     1316 type="#_x0000_t75" style='width:254.25pt;height:129pt;visibility:visible;
     1317 mso-wrap-style:square'>
     1318 <v:imagedata src="SequentialTutorial_files/image019.png" o:title=""/>
     1319</v:shape><![endif]--><![if !vml]><img width=339 height=172
     1320src="SequentialTutorial_files/image020.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     1321
     1322<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1323
     1324<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1325style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1326style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     1327</span></span></span><![endif]>Now we select the variables to refine. </p>
     1328
     1329<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     1330
     1331<p class=MsoListParagraphCxSpFirst>Click on the first phase (CuCr2O4) click on
     1332the refine unit cell option (on the General tab). (You will likely need to
     1333click on the triangle to the left of the Phase entry to “open” the tree item.</p>
     1334
     1335<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
     1336mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_12" o:spid="_x0000_i1051"
     1337 type="#_x0000_t75" style='width:405pt;height:62.25pt;visibility:visible;
    14641338 mso-wrap-style:square'>
    14651339 <v:imagedata src="SequentialTutorial_files/image021.png" o:title=""/>
    1466 </v:shape><![endif]--><![if !vml]><img border=0 width=256 height=131
    1467 src="SequentialTutorial_files/image022.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    1468 
    1469 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1470 
    1471 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1472 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1473 style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    1474 </span></span></span><![endif]>Now we select the variables to refine. </p>
    1475 
    1476 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    1477 
    1478 <p class=MsoListParagraphCxSpFirst>Click on the first phase (CuCr2O4) click on
    1479 the refine unit cell option (on the General tab). (You will likely need to
    1480 click on the triangle to the left of the Phase entry to ÒopenÓ the tree item.</p>
     1340</v:shape><![endif]--><![if !vml]><img width=540 height=83
     1341src="SequentialTutorial_files/image022.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
     1342
     1343<p class=MsoListParagraphCxSpMiddle>We also want to refine the phase fraction
     1344for this phase, so move to the Data tab, click on “show PWDR OH_00.fxye Bank 1”
     1345and click on the Phase fraction box to cause that to be refined.<span
     1346style='mso-spacerun:yes'>  </span></p>
    14811347
    14821348<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    1483 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_12" o:spid="_x0000_i1051"
    1484  type="#_x0000_t75" style='width:405pt;height:62pt;visibility:visible;
    1485  mso-wrap-style:square'>
     1349mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1050" type="#_x0000_t75"
     1350 style='width:260.25pt;height:99pt;visibility:visible;mso-wrap-style:square'>
    14861351 <v:imagedata src="SequentialTutorial_files/image023.png" o:title=""/>
    1487 </v:shape><![endif]--><![if !vml]><img border=0 width=407 height=64
    1488 src="SequentialTutorial_files/image024.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
    1489 
    1490 <p class=MsoListParagraphCxSpMiddle>We also want to refine the phase fraction
    1491 for this phase, so move to the Data tab, click on Òshow PWDR OH_00.fxye Bank 1Ó
    1492 and click on the Phase fraction box to cause that to be refined.<span
    1493 style="mso-spacerun:yes">&nbsp; </span></p>
    1494 
    1495 <p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    1496 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_13" o:spid="_x0000_i1050"
    1497  type="#_x0000_t75" style='width:260pt;height:99pt;visibility:visible;
    1498  mso-wrap-style:square'>
    1499  <v:imagedata src="SequentialTutorial_files/image025.png" o:title=""/>
    1500 </v:shape><![endif]--><![if !vml]><img border=0 width=262 height=101
    1501 src="SequentialTutorial_files/image026.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     1352</v:shape><![endif]--><![if !vml]><img width=347 height=132
     1353src="SequentialTutorial_files/image024.jpg" v:shapes="_x0000_i1050"><![endif]></span></p>
    15021354
    15031355<p class=MsoListParagraphCxSpMiddle>Repeat this with the second phase (<span
     
    15051357click on the General tab and on the refine unit cell option. We also want to
    15061358refine the phase fraction for this phase, so move to the Data tab, click on
    1507 Òshow PWDR OH_00.fxye Bank 1Ó and click on the Phase fraction box to cause that
    1508 to be refined.<span style="mso-spacerun:yes">&nbsp; </span>Also click on the
    1509 single (isotropic) <span class=SpellE>microstrain</span> term for this second
    1510 phase.</p>
     1359“show PWDR OH_00.fxye Bank 1” and click on the Phase fraction box to cause that
     1360to be refined.<span style='mso-spacerun:yes'>  </span>Also click on the single
     1361(isotropic) <span class=SpellE>microstrain</span> term for this second phase.</p>
    15111362
    15121363<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    15161367 text-align:left;margin-left:208.5pt;margin-top:891.2pt;width:259.7pt;height:92.55pt;
    15171368 z-index:251678720;visibility:visible;mso-wrap-style:square;
    1518  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1369 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1370 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    15191371 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    15201372 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    1521  mso-position-vertical-relative:margin'>
    1522  <v:imagedata src="SequentialTutorial_files/image027.png" o:title=""/>
     1373 mso-position-vertical-relative:margin;mso-width-percent:0;
     1374 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1375 <v:imagedata src="SequentialTutorial_files/image025.png" o:title=""/>
    15231376 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1524 </v:shape><![endif]--><![if !vml]><img width=262 height=95
    1525 src="SequentialTutorial_files/image028.png" align=right hspace=9 v:shapes="Picture_x0020_14"><![endif]>Also
     1377</v:shape><![endif]--><![if !vml]><img width=346 height=123
     1378src="SequentialTutorial_files/image026.png" align=right hspace=12 v:shapes="Picture_x0020_14"><![endif]>Also
    15261379click on the Background entry for the PWDR OH_00.fxye Bank 1 entry in the data
    15271380tree (you will likely need to click on the triangle to the left of the entry to
    1528 ÒopenÓ the tree item.) Confirm that Background function should already be set
     1381“open” the tree item.) Confirm that Background function should already be set
    15291382as <span class=SpellE>chebyshev</span> and the Refine flag should be checked.
    1530 Change the ÒNo. <span class=SpellE><span class=GramE>coeff</span></span>.Ó
    1531 entry from 3 to 6 to introduce more background terms. </p>
     1383Change the “No. <span class=SpellE>coeff</span>.” entry from 3 to 6 to
     1384introduce more background terms. </p>
    15321385
    15331386<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    15521405<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    15531406
    1554 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1555 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1556 style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1407<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1408style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1409style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    15571410</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_15"
    15581411 o:spid="_x0000_s1041" type="#_x0000_t75" style='position:absolute;left:0;
    15591412 text-align:left;margin-left:102.2pt;margin-top:-53.75pt;width:153.4pt;
    15601413 height:236.55pt;z-index:251679744;visibility:visible;mso-wrap-style:square;
    1561  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1414 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1415 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    15621416 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    15631417 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    1564  mso-position-vertical-relative:margin'>
    1565  <v:imagedata src="SequentialTutorial_files/image029.png" o:title=""/>
     1418 mso-position-vertical-relative:margin;mso-width-percent:0;
     1419 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1420 <v:imagedata src="SequentialTutorial_files/image027.png" o:title=""/>
    15661421 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1567 </v:shape><![endif]--><![if !vml]><img width=155 height=239
    1568 src="SequentialTutorial_files/image030.png" align=right hspace=9 v:shapes="Picture_x0020_15"><![endif]>Optional:
     1422</v:shape><![endif]--><![if !vml]><img width=205 height=315
     1423src="SequentialTutorial_files/image028.png" align=right hspace=12 v:shapes="Picture_x0020_15"><![endif]>Optional:
    15691424confirm that the initial parameters have been selected correctly for refinement
    15701425using the Calculate/View LS <span class=SpellE>parms</span> menu item. There
    1571 will be 15 refined parameters: <span style='font-family:Courier'>0<span
    1572 class=GramE>::</span>A</span>x (x=0,1,2) and <span style='font-family:Courier'>1::A</span>x
    1573 (x=0,1,2,4), the reciprocal lattice metric terms for each phase; <span
    1574 style='font-family:Courier'>:0:Scale</span>, the histogram scale factor, <span
    1575 style='font-family:Courier'>:0:Back:</span>x (x=0-5), the six background
    1576 coefficients and <span style='font-family:Courier'>::constr0</span> which is
    1577 generated from the constraints. The phase factors, x<span style='font-family:
    1578 Courier'>:0<span class=GramE>:Scale</span></span> (x=1,2) are shown as
     1426will be 15 refined parameters: <span style='font-family:Courier'>0::A</span>x
     1427(x=0,1,2) and <span style='font-family:Courier'>1::A</span>x (x=0,1,2,4), the
     1428reciprocal lattice metric terms for each phase; <span style='font-family:Courier'>:0:Scale</span>,
     1429the histogram scale factor, <span style='font-family:Courier'>:0:Back:</span>x
     1430(x=0-5), the six background coefficients and <span style='font-family:Courier'>::constr0</span>
     1431which is generated from the constraints. The phase factors, x<span class=GramE><span
     1432style='font-family:Courier'>:0:Scale</span></span> (x=1,2) are shown as
    15791433constrained. </p>
    15801434
     
    15831437<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    15841438
    1585 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1586 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1587 style='mso-list:Ignore'>10.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use
    1588 the Calculate/Refine menu item to initiate the refinement. Since the project
    1589 has not been saved, you will be asked to select a name (and optionally a
    1590 directory) for the GSAS-II project (.<span class=SpellE>gpx</span>) file.<span
    1591 style="mso-spacerun:yes">&nbsp; </span>The file name <span class=SpellE><span
     1439<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1440style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1441style='mso-list:Ignore'>10.<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>Use
     1442the Calculate/Refine menu item to initiate the refinement. Since the project has
     1443not been saved, you will be asked to select a name (and optionally a directory)
     1444for the GSAS-II project (.<span class=SpellE>gpx</span>) file.<span
     1445style='mso-spacerun:yes'>  </span>The file name <span class=SpellE><span
    15921446style='font-family:Courier'>SeqTut.gpx</span></span> is assumed here. The
    15931447refinement progresses quickly to <span class=GramE>a</span> <span class=SpellE>Rw</span>
     
    15961450<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    15971451
    1598 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1599 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1600 style='mso-list:Ignore'>11.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>There
     1452<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1453style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1454style='mso-list:Ignore'>11.<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>There
    16011455are several additional variables that should now be added. One should always
    1602 refine a zero correction or sample displacement parameter. In this case, the best
    1603 choice is the Sample X <span class=SpellE>displ</span>. <span class=GramE>parameter</span>
     1456refine a zero correction or sample displacement parameter. In this case, the
     1457best choice is the Sample X <span class=SpellE>displ</span>. <span class=GramE>parameter</span>
    16041458on the Sample Parameters section of histogram PWDR OH_00.fxye Bank 1. (Note
    16051459that data range &gt;&gt;90 degrees is needed before the Sample Y <span
     
    16141468 text-align:left;margin-left:230.4pt;margin-top:0;width:281.6pt;height:130.65pt;
    16151469 z-index:251666432;visibility:visible;mso-wrap-style:square;
    1616  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1470 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1471 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    16171472 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    16181473 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    1619  mso-position-vertical-relative:margin'>
    1620  <v:imagedata src="SequentialTutorial_files/image031.png" o:title=""/>
     1474 mso-position-vertical-relative:margin;mso-width-percent:0;
     1475 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1476 <v:imagedata src="SequentialTutorial_files/image029.png" o:title=""/>
    16211477 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1622 </v:shape><![endif]--><![if !vml]><img width=284 height=133
    1623 src="SequentialTutorial_files/image032.png" align=right hspace=9 v:shapes="Picture_x0020_13"><![endif]>Clicking
    1624 on the PWDR OH_00.fxye Bank 1 entry shows the ÒRietveld plotÓ and zooming in on
     1478</v:shape><![endif]--><![if !vml]><img width=375 height=174
     1479src="SequentialTutorial_files/image030.png" align=right hspace=12 v:shapes="Picture_x0020_13"><![endif]>Clicking
     1480on the PWDR OH_00.fxye Bank 1 entry shows the “Rietveld plot” and zooming in on
    16251481different regions of the pattern provides insight on how the fit could be
    16261482improved. The background is not well fit in the low angle range and examination
    1627 shows a ÒhumpÓ of low-angle scattering from ~4.5 to 6 degrees. <span
    1628 class=GramE>This is more easily fit by adding a background peak than extra
    1629 terms to the background function</span>. Select the Background item in
    1630 histogram PWDR OH_00.fxye Bank 1 and change the ÒPeaks in BackgroundÓ from 0 to
    1631 1.<span style="mso-spacerun:yes">&nbsp; </span>Change the peak position to the
    1632 approximate peak center (5.25 degrees) and set the intensity and Gaussian width
    1633 (sig) to be refined.<span style="mso-spacerun:yes">&nbsp; </span><i
    1634 style='mso-bidi-font-style:normal'><u>Important</u></i>: note that one must
    1635 click on another box to ensure that input is recorded. </p>
    1636 
    1637 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1638 
    1639 <p class=MsoListParagraphCxSpMiddle>Once the fit has been improved we can then add
    1640 the position of this peak to the fit. </p>
     1483shows a “hump” of low-angle scattering from ~4.5 to 6 degrees. This is more
     1484easily fit by adding a background peak than extra terms to the background
     1485function. Select the Background item in histogram PWDR OH_00.fxye Bank 1 and
     1486change the “Peaks in Background” from 0 to 1.<span style='mso-spacerun:yes'> 
     1487</span>Change the peak position to the approximate peak center (5.25 degrees)
     1488and set the intensity and Gaussian width (sig) to be refined.<span
     1489style='mso-spacerun:yes'>  </span><i style='mso-bidi-font-style:normal'><u>Important</u></i>:
     1490note that one must click on another box to ensure that input is recorded. </p>
     1491
     1492<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1493
     1494<p class=MsoListParagraphCxSpMiddle>Once the fit has been improved we can then
     1495add the position of this peak to the fit. </p>
    16411496
    16421497<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    16461501 text-align:left;margin-left:211.1pt;margin-top:0;width:262.3pt;height:253.7pt;
    16471502 z-index:251680768;visibility:visible;mso-wrap-style:square;
    1648  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1503 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1504 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    16491505 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    16501506 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    1651  mso-position-vertical-relative:margin'>
    1652  <v:imagedata src="SequentialTutorial_files/image033.png" o:title=""/>
     1507 mso-position-vertical-relative:margin;mso-width-percent:0;
     1508 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1509 <v:imagedata src="SequentialTutorial_files/image031.png" o:title=""/>
    16531510 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1654 </v:shape><![endif]--><![if !vml]><img width=264 height=256
    1655 src="SequentialTutorial_files/image034.png" align=right hspace=9 v:shapes="Picture_x0020_16"><![endif]>While
     1511</v:shape><![endif]--><![if !vml]><img width=350 height=338
     1512src="SequentialTutorial_files/image032.png" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>While
    16561513in other projects I might postpone this until later, we can also start on
    16571514improving the peak fit. We will do this by varying the sample broadening for
     
    16591516first phase (CuCr2O4) and Data tab, click on the <span class=SpellE>Cryst</span>.
    16601517<span class=GramE>Size and <span class=SpellE>microstrain</span> parameters to
    1661 add those parameters to the fit.</span><span style="mso-spacerun:yes">&nbsp;
    1662 </span></p>
     1518add those parameters to the fit.</span><span style='mso-spacerun:yes'>  </span></p>
    16631519
    16641520<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    16701526<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    16711527
    1672 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
    1673 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1674 style='mso-list:Ignore'>12.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>We
     1528<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
     1529style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1530style='mso-list:Ignore'>12.<span style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>We
    16751531can now include the position flag for the background peak in the refinement. Do
    16761532this using the Background item, as before. Be sure to click on some other box
     
    16841540strain model. Rather than choosing the relative complex generalized model, we
    16851541can introduce only two terms with the uniaxial model.<span
    1686 style="mso-spacerun:yes">&nbsp; </span>Trial and error will show that the 010
     1542style='mso-spacerun:yes'>  </span>Trial and error will show that the 010
    16871543direction works best. Click on the first phase (CuCr2O4) and Data tab and
    1688 select uniaxial for the <span class=SpellE>Mustrain</span> model and use Ò0 1
    1689 0Ó for the Unique axis, <span class=GramE>HKL .</span> <span class=GramE>Select
     1544select uniaxial for the <span class=SpellE>Mustrain</span> model and use “0 1
     15450” for the Unique axis, <span class=GramE>HKL .</span> <span class=GramE>Select
    16901546refinement for both Equatorial and Axial <span class=SpellE>mustrain</span>.</span>
    16911547</p>
     
    16971553item shows that the goodness of fit (GOF) is 1.1 (corresponding to a reduced <b
    16981554style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande";
    1699 color:black'>&#967;</span></b><sup>2</sup> of 1.2) with 23 refined parameters. While
    1700 atomic parameters could now be refined, as shown in the plot, this is clearly a
    1701 good enough place to start refinement with all the datasets. </p>
     1555color:black'>&#967;</span></b><sup>2</sup> of 1.2) with 23 refined parameters.
     1556While atomic parameters could now be refined, as shown in the plot, this is
     1557clearly a good enough place to start refinement with all the datasets. </p>
    17021558
    17031559<p class=MsoListParagraphCxSpLast><span style='mso-fareast-language:EN-US;
    17041560mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15" o:spid="_x0000_i1049"
    1705  type="#_x0000_t75" style='width:340pt;height:255pt;visibility:visible;
     1561 type="#_x0000_t75" style='width:339.75pt;height:255pt;visibility:visible;
    17061562 mso-wrap-style:square'>
    1707  <v:imagedata src="SequentialTutorial_files/image035.png" o:title=""/>
    1708 </v:shape><![endif]--><![if !vml]><img border=0 width=342 height=257
    1709 src="SequentialTutorial_files/image036.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1563 <v:imagedata src="SequentialTutorial_files/image033.png" o:title=""/>
     1564</v:shape><![endif]--><![if !vml]><img width=453 height=340
     1565src="SequentialTutorial_files/image034.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
    17101566
    17111567<h2>Step 2: Prepare for sequential fit. </h2>
     
    17141570
    17151571<p class=MsoNormal>There is one significant difference between fitting a
    1716 sequence of datasets versus fitting a single data set. Rather than fitting lattice
    1717 constants (for which there will be only one set for each phase in the entire
    1718 refinement), we will use the Hydrostatic/Elastic strain terms (parameters
    1719 &lt;p&gt;<span class=GramE>:&lt;</span>h&gt;:<span class=SpellE>Dxx</span>) to
    1720 treat the change in lattice parameters. These items describe the change in
     1572sequence of datasets versus fitting a single data set. Rather than fitting
     1573lattice constants (for which there will be only one set for each phase in the
     1574entire refinement), we will use the Hydrostatic/Elastic strain terms
     1575(parameters &lt;p<span class=GramE>&gt;:</span>&lt;h&gt;:<span class=SpellE>Dxx</span>)
     1576to treat the change in lattice parameters. These items describe the change in
    17211577lattice parameters and appear in the Phase Data tab, where there is a set for
    17221578each histogram assigned to the phase. We will make a switch to use this for the
     
    17391595convergence. </p>
    17401596
    1741 <p class=MsoNormal><span style="mso-spacerun:yes">&nbsp;</span></p>
    1742 
    1743 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo2'><![if !supportLists]><span
    1744 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1745 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1597<p class=MsoNormal><span style='mso-spacerun:yes'> </span></p>
     1598
     1599<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
     1600style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1601style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    17461602</span></span></span><![endif]>Click on the first phase (CuCr2O4) and on the
    17471603General tab, click on the refine unit cell option to turn off refinement. </p>
    17481604
    1749 <p class=MsoListParagraphCxSpMiddle><span
    1750 style="mso-spacerun:yes">&nbsp;</span><span style='mso-fareast-language:EN-US;
    1751 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_16" o:spid="_x0000_i1048"
    1752  type="#_x0000_t75" style='width:404pt;height:86pt;visibility:visible;
    1753  mso-wrap-style:square'>
    1754  <v:imagedata src="SequentialTutorial_files/image037.png" o:title=""/>
    1755 </v:shape><![endif]--><![if !vml]><img border=0 width=406 height=88
    1756 src="SequentialTutorial_files/image038.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
    1757 
    1758 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1759 
    1760 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo2'><![if !supportLists]><span
    1761 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1762 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1605<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
     1606style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1607 id="_x0000_i1048" type="#_x0000_t75" style='width:404.25pt;height:86.25pt;
     1608 visibility:visible;mso-wrap-style:square'>
     1609 <v:imagedata src="SequentialTutorial_files/image035.png" o:title=""/>
     1610</v:shape><![endif]--><![if !vml]><img width=539 height=115
     1611src="SequentialTutorial_files/image036.png" v:shapes="_x0000_i1048"><![endif]></span></p>
     1612
     1613<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1614
     1615<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
     1616style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1617style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    17631618</span></span></span><![endif]>On the Data tab, click on the D11, D22 and D33
    17641619terms to refine the lattice strain terms. While here, to simplify convergence
     
    17661621turn off the refinement of the three peak width terms and the phase fraction. </p>
    17671622
    1768 <p class=MsoListParagraphCxSpMiddle><span
    1769 style="mso-spacerun:yes">&nbsp;</span><span style='mso-fareast-language:EN-US;
    1770 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_72" o:spid="_x0000_i1047"
    1771  type="#_x0000_t75" style='width:265pt;height:254pt;visibility:visible;
    1772  mso-wrap-style:square'>
    1773  <v:imagedata src="SequentialTutorial_files/image039.png" o:title=""/>
    1774 </v:shape><![endif]--><![if !vml]><img border=0 width=267 height=256
    1775 src="SequentialTutorial_files/image040.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
    1776 
    1777 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1778 
    1779 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo2'><![if !supportLists]><span
    1780 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1781 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1623<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
     1624style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1625 id="Picture_x0020_72" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:264.75pt;
     1626 height:254.25pt;visibility:visible;mso-wrap-style:square'>
     1627 <v:imagedata src="SequentialTutorial_files/image037.png" o:title=""/>
     1628</v:shape><![endif]--><![if !vml]><img width=353 height=339
     1629src="SequentialTutorial_files/image038.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
     1630
     1631<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1632
     1633<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
     1634style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1635style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    17821636</span></span></span><![endif]>Click on the second phase (<span class=SpellE>CuO</span>)
    17831637and on the General tab, click on the refine unit cell option to turn off
     
    17881642<p class=MsoListParagraphCxSpMiddle>On the Data tab for <span class=SpellE>CuO</span>,
    17891643click on the D11, D22, and D33 terms to refine the lattice strain terms and
    1790 turn off refinement of the phase fraction. <span
    1791 style="mso-spacerun:yes">&nbsp;</span>We could refine the D13 term (which
    1792 corresponds to the <span class=SpellE>CuO</span> &#946;* angle), but we do not
    1793 expect this to change much and expect the refinement to be relatively
    1794 insensitive to this, due to the small number of <span class=SpellE>CuO</span>
    1795 peaks that are in the pattern.)</p>
     1644turn off refinement of the phase fraction.<span style='mso-spacerun:yes'> 
     1645</span>We could refine the D13 term (which corresponds to the <span
     1646class=SpellE>CuO</span> &#946;* angle), but we do not expect this to change
     1647much and expect the refinement to be relatively insensitive to this, due to the
     1648small number of <span class=SpellE>CuO</span> peaks that are in the pattern.)</p>
    17961649
    17971650<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    17991652<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    18001653mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_71" o:spid="_x0000_i1046"
    1801  type="#_x0000_t75" style='width:264pt;height:253pt;visibility:visible;
     1654 type="#_x0000_t75" style='width:264pt;height:252.75pt;visibility:visible;
    18021655 mso-wrap-style:square'>
    1803  <v:imagedata src="SequentialTutorial_files/image041.png" o:title="" croptop="2615f"
     1656 <v:imagedata src="SequentialTutorial_files/image039.png" o:title="" croptop="2615f"
    18041657  cropbottom="5827f" cropleft="4311f" cropright="4217f"/>
    1805 </v:shape><![endif]--><![if !vml]><img border=0 width=266 height=255
    1806 src="SequentialTutorial_files/image042.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
    1807 
    1808 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    1809 
    1810 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo2'><![if !supportLists]><span
    1811 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1812 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1658</v:shape><![endif]--><![if !vml]><img width=352 height=337
     1659src="SequentialTutorial_files/image040.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
     1660
     1661<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1662
     1663<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
     1664style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1665style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    18131666</span></span></span><![endif]>Also at this stage, turn off the all the
    18141667background refinement terms by clicking on Background on the histogram tree
     
    18191672
    18201673<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    1821 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1045" type="#_x0000_t75"
    1822  style='width:290pt;height:134pt;visibility:visible;mso-wrap-style:square'>
    1823  <v:imagedata src="SequentialTutorial_files/image043.png" o:title="" croptop="4264f"
     1674mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_13" o:spid="_x0000_i1045"
     1675 type="#_x0000_t75" style='width:290.25pt;height:134.25pt;visibility:visible;
     1676 mso-wrap-style:square'>
     1677 <v:imagedata src="SequentialTutorial_files/image041.png" o:title="" croptop="4264f"
    18241678  cropbottom="9111f" cropleft="3592f" cropright="4103f"/>
    1825 </v:shape><![endif]--><![if !vml]><img border=0 width=292 height=136
    1826 src="SequentialTutorial_files/image044.png" v:shapes="_x0000_i1045"><![endif]></span></p>
     1679</v:shape><![endif]--><![if !vml]><img width=387 height=179
     1680src="SequentialTutorial_files/image042.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    18271681
    18281682<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    18321686 text-align:left;margin-left:126.25pt;margin-top:0;width:177.45pt;height:234pt;
    18331687 z-index:251684864;visibility:visible;mso-wrap-style:square;
    1834  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1688 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1689 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    18351690 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    18361691 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
    1837  mso-position-vertical-relative:margin'>
    1838  <v:imagedata src="SequentialTutorial_files/image045.png" o:title="" croptop="2496f"
     1692 mso-position-vertical-relative:margin;mso-width-percent:0;
     1693 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1694 <v:imagedata src="SequentialTutorial_files/image043.png" o:title="" croptop="2496f"
    18391695  cropbottom="6233f" cropleft="6198f" cropright="5868f"/>
    18401696 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1841 </v:shape><![endif]--><![if !vml]><img width=179 height=236
    1842 src="SequentialTutorial_files/image046.png" align=right hspace=9 v:shapes="Picture_x0020_33"><![endif]>Likewise,
     1697</v:shape><![endif]--><![if !vml]><img width=237 height=312
     1698src="SequentialTutorial_files/image044.png" align=right hspace=12 v:shapes="Picture_x0020_33"><![endif]>Likewise,
    18431699for the histogram Sample Parameters turn off and the Sample Displacement
    18441700parameter by clicking on the Sample Parameters item in the histogram entries.</p>
     
    18461702<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    18471703
    1848 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo2'><![if !supportLists]><span
    1849 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1850 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1704<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
     1705style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1706style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    18511707</span></span></span><![endif]>One can confirm that the number of parameters is
    18521708now 7 (3 <span class=SpellE>Dxx</span> terms for phase 1, 3 <span class=SpellE>Dxx</span>
     
    18681724<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    18691725
    1870 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo3'><![if !supportLists]><span
    1871 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1872 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1726<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
     1727style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1728style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    18731729</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_17"
    18741730 o:spid="_x0000_s1037" type="#_x0000_t75" style='position:absolute;left:0;
    18751731 text-align:left;margin-left:109.05pt;margin-top:576.2pt;width:160.25pt;
    18761732 height:156.85pt;z-index:251681792;visibility:visible;mso-wrap-style:square;
    1877  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1733 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1734 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    18781735 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    18791736 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    1880  mso-position-vertical-relative:margin'>
    1881  <v:imagedata src="SequentialTutorial_files/image047.png" o:title="" croptop="3745f"
     1737 mso-position-vertical-relative:margin;mso-width-percent:0;
     1738 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1739 <v:imagedata src="SequentialTutorial_files/image045.png" o:title="" croptop="3745f"
    18821740  cropbottom="9062f" cropleft="6179f" cropright="6822f"/>
    18831741 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1884 </v:shape><![endif]--><![if !vml]><img width=162 height=159
    1885 src="SequentialTutorial_files/image048.png" align=right hspace=9 v:shapes="Picture_x0020_17"><![endif]>The
     1742</v:shape><![endif]--><![if !vml]><img width=214 height=209
     1743src="SequentialTutorial_files/image046.png" align=right hspace=12 v:shapes="Picture_x0020_17"><![endif]>The
    18861744remaining datasets are read using Import/Powder Data/from GSAS powder data file
    1887 to open a file browser. Again select Òzip archiveÓ and the downloaded <span
    1888 style='font-family:Courier'>SeqTut.zip</span> file. Select all <span
    1889 class=GramE>the .<span class=SpellE>fxye</span></span> files except <span
    1890 style='font-family:Courier'>OH_00.fxye</span> (use of the filter can again be
    1891 helpful to show just the data file; press Set All and then unselect the one unneeded
    1892 file). </p>
     1745to open a file browser. Again select “zip archive” and the downloaded <span
     1746style='font-family:Courier'>SeqTut.zip</span> file. Select all the .<span
     1747class=SpellE>fxye</span> files except <span style='font-family:Courier'>OH_00.fxye</span>
     1748(use of the filter can again be helpful to show just the data file; press Set
     1749All and then unselect the one unneeded file). </p>
    18931750
    18941751<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    18991756<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    19001757mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_i1044"
    1901  type="#_x0000_t75" style='width:299pt;height:203pt;visibility:visible;
     1758 type="#_x0000_t75" style='width:299.25pt;height:203.25pt;visibility:visible;
    19021759 mso-wrap-style:square'>
    1903  <v:imagedata src="SequentialTutorial_files/image049.png" o:title="" croptop="3160f"
     1760 <v:imagedata src="SequentialTutorial_files/image047.png" o:title="" croptop="3160f"
    19041761  cropbottom="7136f" cropleft="3738f" cropright="3737f"/>
    1905 </v:shape><![endif]--><![if !vml]><img border=0 width=301 height=205
    1906 src="SequentialTutorial_files/image050.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     1762</v:shape><![endif]--><![if !vml]><img width=399 height=271
     1763src="SequentialTutorial_files/image048.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    19071764
    19081765<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    19251782 text-align:left;margin-left:105.35pt;margin-top:0;width:156.55pt;height:84.25pt;
    19261783 z-index:251667456;visibility:visible;mso-wrap-style:square;
    1927  mso-width-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
    1928  mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
    1929  mso-position-horizontal:right;mso-position-horizontal-relative:margin;
    1930  mso-position-vertical:bottom;mso-position-vertical-relative:margin;
    1931  mso-width-percent:0;mso-width-relative:margin'>
    1932  <v:imagedata src="SequentialTutorial_files/image051.png" o:title=""/>
     1784 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1785 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1786 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
     1787 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
     1788 mso-position-vertical-relative:margin;mso-width-percent:0;
     1789 mso-height-percent:0;mso-width-relative:margin;mso-height-relative:page'>
     1790 <v:imagedata src="SequentialTutorial_files/image049.png" o:title=""/>
    19331791 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1934 </v:shape><![endif]--><![if !vml]><img width=159 height=86
    1935 src="SequentialTutorial_files/image052.png" align=right hspace=9 v:shapes="Picture_x0020_18"><![endif]>Optional:
     1792</v:shape><![endif]--><![if !vml]><img width=209 height=112
     1793src="SequentialTutorial_files/image050.png" align=right hspace=12 v:shapes="Picture_x0020_18"><![endif]>Optional:
    19361794Note that with this many files to plot, the default graphics mode, which
    19371795displays all <span class=GramE>datasets</span> can be a bit cumbersome.<span
    1938 style="mso-spacerun:yes">&nbsp; </span>To change this, click on the main entry
    1939 for any of the datasets (for example the PWDR OH_00.fxye Bank 1), click on the
    1940 frame of the plot window and press the ÒsÓ key.<span
    1941 style="mso-spacerun:yes">&nbsp; </span>(Alternately, press the ÒKÓ icon from
    1942 the list at the bottom of plot, between the Òfloppy diskÓ and Òquestion markÓ
    1943 icons and then select Òs: toggle single plotÓ from the pop-up window). </p>
     1796style='mso-spacerun:yes'>  </span>To change this, click on the main entry for
     1797any of the datasets (for example the PWDR OH_00.fxye Bank 1), click on the
     1798frame of the plot window and press the “s” key.<span style='mso-spacerun:yes'> 
     1799</span>(Alternately, press the “K” icon from the list at the bottom of plot,
     1800between the “floppy disk” and “question mark” icons and then select “s: toggle
     1801single plot” from the pop-up window). </p>
    19441802
    19451803<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
     
    19561814<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
    19571815
    1958 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
    1959 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    1960 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1816<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
     1817style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1818style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    19611819</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_19"
    19621820 o:spid="_x0000_s1035" type="#_x0000_t75" style='position:absolute;left:0;
    19631821 text-align:left;margin-left:18.3pt;margin-top:9.2pt;width:69.5pt;height:33pt;
    19641822 z-index:251668480;visibility:visible;mso-wrap-style:square;
    1965  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1823 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1824 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    19661825 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    19671826 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    1968  mso-position-vertical-relative:margin'>
    1969  <v:imagedata src="SequentialTutorial_files/image053.png" o:title=""/>
     1827 mso-position-vertical-relative:margin;mso-width-percent:0;
     1828 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1829 <v:imagedata src="SequentialTutorial_files/image051.png" o:title=""/>
    19701830 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1971 </v:shape><![endif]--><![if !vml]><img width=72 height=35
    1972 src="SequentialTutorial_files/image054.png" align=right hspace=9 v:shapes="Picture_x0020_19"><![endif]>Copy
     1831</v:shape><![endif]--><![if !vml]><img width=93 height=44
     1832src="SequentialTutorial_files/image052.jpg" align=right hspace=12 v:shapes="Picture_x0020_19"><![endif]>Copy
    19731833the histogram parameters from the first histogram to the new ones: Click on the
    19741834original PWDR OH_00.fxye Bank 1 entry. Use menu command Commands/Copy <span
     
    19811841 text-align:left;margin-left:111.35pt;margin-top:45.2pt;width:162.55pt;
    19821842 height:159.05pt;z-index:251669504;visibility:visible;mso-wrap-style:square;
    1983  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1843 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1844 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    19841845 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    19851846 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    1986  mso-position-vertical-relative:margin'>
    1987  <v:imagedata src="SequentialTutorial_files/image055.png" o:title=""/>
     1847 mso-position-vertical-relative:margin;mso-width-percent:0;
     1848 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1849 <v:imagedata src="SequentialTutorial_files/image053.png" o:title=""/>
    19881850 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    1989 </v:shape><![endif]--><![if !vml]><img width=165 height=161
    1990 src="SequentialTutorial_files/image056.png" align=right hspace=9 v:shapes="Picture_x0020_20"><![endif]>This
     1851</v:shape><![endif]--><![if !vml]><img width=217 height=212
     1852src="SequentialTutorial_files/image054.png" align=right hspace=12 v:shapes="Picture_x0020_20"><![endif]>This
    19911853causes a dialog box where the sections to be copied are selected. We need to
    19921854duplicate the Limits, Background and Sample Parameters between all histograms.
     
    20071869<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    20081870mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_20" o:spid="_x0000_i1043"
    2009  type="#_x0000_t75" style='width:161pt;height:159pt;visibility:visible;
     1871 type="#_x0000_t75" style='width:161.25pt;height:159pt;visibility:visible;
    20101872 mso-wrap-style:square'>
    2011  <v:imagedata src="SequentialTutorial_files/image057.png" o:title="" croptop="3169f"
     1873 <v:imagedata src="SequentialTutorial_files/image055.png" o:title="" croptop="3169f"
    20121874  cropbottom="8776f" cropleft="6460f" cropright="6263f"/>
    2013 </v:shape><![endif]--><![if !vml]><img border=0 width=163 height=161
    2014 src="SequentialTutorial_files/image058.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     1875</v:shape><![endif]--><![if !vml]><img width=215 height=212
     1876src="SequentialTutorial_files/image056.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    20151877
    20161878<p class=MsoListParagraphCxSpLast>That the copy has been performed can be
     
    20241886<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    20251887
    2026 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
    2027 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2028 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1888<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
     1889style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1890style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20291891</span></span></span><![endif]>Click on the first phase (CuCr2O4) and on the
    20301892Data tab. The press the Copy Button;</p>
    20311893
    20321894<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    2033 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1042" type="#_x0000_t75"
    2034  style='width:272pt;height:312pt;visibility:visible;mso-wrap-style:square'>
    2035  <v:imagedata src="SequentialTutorial_files/image059.png" o:title=""/>
    2036 </v:shape><![endif]--><![if !vml]><img border=0 width=274 height=314
    2037 src="SequentialTutorial_files/image060.png" v:shapes="_x0000_i1042"><![endif]></span><span
    2038 style="mso-spacerun:yes">&nbsp;</span></p>
     1895mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_16" o:spid="_x0000_i1042"
     1896 type="#_x0000_t75" style='width:272.25pt;height:312pt;visibility:visible;
     1897 mso-wrap-style:square'>
     1898 <v:imagedata src="SequentialTutorial_files/image057.png" o:title=""/>
     1899</v:shape><![endif]--><![if !vml]><img width=363 height=416
     1900src="SequentialTutorial_files/image058.png" v:shapes="Picture_x0020_16"><![endif]></span><span
     1901style='mso-spacerun:yes'> </span></p>
    20391902
    20401903<p class=MsoListParagraphCxSpMiddle><span class=GramE>a</span> dialog window
     
    20421905originating dataset in the list, and there is no harm in copying parameters to
    20431906all histograms (including the origin), this is a good chance to show how the
    2044 toggle button is used. Select only the ÒOH_00.fxyeÓ entry. Then press the
     1907toggle button is used. Select only the “OH_00.fxye” entry. Then press the
    20451908Toggle All button to invert the selections. Then press OK.</p>
    20461909
     
    20491912<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    20501913mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_23" o:spid="_x0000_i1041"
    2051  type="#_x0000_t75" style='width:172pt;height:158pt;visibility:visible;
     1914 type="#_x0000_t75" style='width:171.75pt;height:158.25pt;visibility:visible;
    20521915 mso-wrap-style:square'>
    2053  <v:imagedata src="SequentialTutorial_files/image061.png" o:title="" croptop="3456f"
     1916 <v:imagedata src="SequentialTutorial_files/image059.png" o:title="" croptop="3456f"
    20541917  cropbottom="9070f" cropleft="5898f" cropright="3179f"/>
    2055 </v:shape><![endif]--><![if !vml]><img border=0 width=174 height=160
    2056 src="SequentialTutorial_files/image062.png" v:shapes="Picture_x0020_23"><![endif]><!--[if gte vml 1]><v:shape
    2057  id="Picture_x0020_22" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:157pt;
    2058  height:157pt;visibility:visible;mso-wrap-style:square'>
    2059  <v:imagedata src="SequentialTutorial_files/image063.png" o:title="" croptop="3744f"
     1918</v:shape><![endif]--><![if !vml]><img width=229 height=211
     1919src="SequentialTutorial_files/image060.png" v:shapes="Picture_x0020_23"><![endif]><!--[if gte vml 1]><v:shape
     1920 id="Picture_x0020_22" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:156.75pt;
     1921 height:156.75pt;visibility:visible;mso-wrap-style:square'>
     1922 <v:imagedata src="SequentialTutorial_files/image061.png" o:title="" croptop="3744f"
    20601923  cropbottom="9050f" cropleft="6461f" cropright="7653f"/>
    2061 </v:shape><![endif]--><![if !vml]><img border=0 width=159 height=159
    2062 src="SequentialTutorial_files/image064.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
     1924</v:shape><![endif]--><![if !vml]><img width=209 height=209
     1925src="SequentialTutorial_files/image062.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    20631926
    20641927<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    20651928
    20661929<p class=MsoListParagraphCxSpMiddle>It can be verified that the copy took place
    2067 by clicking ÒShowÓ for additional banks. </p>
    2068 
    2069 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    2070 
    2071 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
    2072 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2073 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1930by clicking “Show” for additional banks. </p>
     1931
     1932<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1933
     1934<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
     1935style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1936style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20741937</span></span></span><![endif]>Copy the Phase/Histogram parameters within the
    20751938second phase by clicking on it (<span class=SpellE>CuO</span>) in the data tree
     
    20891952<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    20901953
    2091 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
    2092 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2093 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1954<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     1955style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1956style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20941957</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_24"
    20951958 o:spid="_x0000_s1033" type="#_x0000_t75" style='position:absolute;left:0;
    20961959 text-align:left;margin-left:111.65pt;margin-top:90.2pt;width:162.85pt;
    20971960 height:156.85pt;z-index:251682816;visibility:visible;mso-wrap-style:square;
    2098  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1961 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1962 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    20991963 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    21001964 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    2101  mso-position-vertical-relative:margin'>
    2102  <v:imagedata src="SequentialTutorial_files/image065.png" o:title="" croptop="4033f"
     1965 mso-position-vertical-relative:margin;mso-width-percent:0;
     1966 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     1967 <v:imagedata src="SequentialTutorial_files/image063.png" o:title="" croptop="4033f"
    21031968  cropbottom="8773f" cropleft="6179f" cropright="5980f"/>
    21041969 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    2105 </v:shape><![endif]--><![if !vml]><img width=165 height=159
    2106 src="SequentialTutorial_files/image066.png" align=right hspace=9 v:shapes="Picture_x0020_24"><![endif]>First,
     1970</v:shape><![endif]--><![if !vml]><img width=217 height=209
     1971src="SequentialTutorial_files/image064.png" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>First,
    21071972select the Controls item in the data tree and press the Select data button. </p>
    21081973
    21091974<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    21101975mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_25" o:spid="_x0000_i1039"
    2111  type="#_x0000_t75" style='width:267pt;height:85pt;visibility:visible;
     1976 type="#_x0000_t75" style='width:267pt;height:84.75pt;visibility:visible;
    21121977 mso-wrap-style:square'>
    2113  <v:imagedata src="SequentialTutorial_files/image067.png" o:title=""/>
    2114 </v:shape><![endif]--><![if !vml]><img border=0 width=269 height=87
    2115 src="SequentialTutorial_files/image068.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
     1978 <v:imagedata src="SequentialTutorial_files/image065.png" o:title=""/>
     1979</v:shape><![endif]--><![if !vml]><img width=356 height=113
     1980src="SequentialTutorial_files/image066.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
    21161981
    21171982<p class=MsoListParagraphCxSpMiddle>This opens a window where all histograms
    21181983can be selected (it would be equally valid to skip the first histogram, since
    2119 that has already been fully fit). Press OK and note that the Controls window
    2120 now lists the number of datasets in the sequential refinement and two new
    2121 controls. </p>
    2122 
    2123 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    2124 
    2125 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
    2126 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2127 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     1984that has already been fully fit). Press OK and note that the Controls window now
     1985lists the number of datasets in the sequential refinement and two new controls.
     1986</p>
     1987
     1988<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     1989
     1990<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     1991style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     1992style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    21281993</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_34"
    21291994 o:spid="_x0000_s1032" type="#_x0000_t75" style='position:absolute;left:0;
    21301995 text-align:left;margin-left:218.8pt;margin-top:225.2pt;width:270pt;height:95.75pt;
    21311996 z-index:251683840;visibility:visible;mso-wrap-style:square;
    2132  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     1997 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     1998 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    21331999 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    21342000 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    2135  mso-position-vertical-relative:margin'>
    2136  <v:imagedata src="SequentialTutorial_files/image069.png" o:title="" croptop="5426f"
     2001 mso-position-vertical-relative:margin;mso-width-percent:0;
     2002 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     2003 <v:imagedata src="SequentialTutorial_files/image067.png" o:title="" croptop="5426f"
    21372004  cropbottom="12546f" cropleft="3993f" cropright="3707f"/>
    21382005 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    2139 </v:shape><![endif]--><![if !vml]><img width=272 height=98
    2140 src="SequentialTutorial_files/image070.png" align=right hspace=9 v:shapes="Picture_x0020_34"><![endif]>Check
    2141 the ÒCopy results to next histogramÓ checkbox. This is essential. If this is
     2006</v:shape><![endif]--><![if !vml]><img width=360 height=128
     2007src="SequentialTutorial_files/image068.png" align=right hspace=12 v:shapes="Picture_x0020_34"><![endif]>Check
     2008the “Copy results to next histogram” checkbox. This is essential. If this is
    21422009not selected, then every refinement will start with the current parameters
    21432010(which are all identical, since they were set with the Copy operations.) The
     
    21472014fail. </p>
    21482015
    2149 <p class=MsoListParagraphCxSpMiddle><span
    2150 style="mso-spacerun:yes">&nbsp;</span></p>
     2016<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
    21512017
    21522018<p class=MsoListParagraphCxSpMiddle>Note that the Reverse order checkbox causes
     
    21562022<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    21572023
    2158 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
    2159 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2160 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2024<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     2025style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2026style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    21612027</span></span></span><![endif]>Change the number of cycles to 10. This is
    21622028important, so that refinements have enough cycles to fully adjust to the
     
    21642030next refinement. </p>
    21652031
    2166 <p class=MsoListParagraphCxSpMiddle><span
    2167 style="mso-spacerun:yes">&nbsp;</span></p>
    2168 
    2169 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
    2170 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2171 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2032<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
     2033
     2034<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     2035style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2036style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    21722037</span></span></span><![endif]><!--[if gte vml 1]><v:shape id="Picture_x0020_28"
    21732038 o:spid="_x0000_s1031" type="#_x0000_t75" style='position:absolute;left:0;
    21742039 text-align:left;margin-left:28.3pt;margin-top:513.2pt;width:79.5pt;height:51.5pt;
    21752040 z-index:251671552;visibility:visible;mso-wrap-style:square;
    2176  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     2041 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     2042 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    21772043 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    21782044 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    2179  mso-position-vertical-relative:margin'>
    2180  <v:imagedata src="SequentialTutorial_files/image071.png" o:title=""/>
     2045 mso-position-vertical-relative:margin;mso-width-percent:0;
     2046 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     2047 <v:imagedata src="SequentialTutorial_files/image069.png" o:title=""/>
    21812048 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    2182 </v:shape><![endif]--><![if !vml]><img width=82 height=54
    2183 src="SequentialTutorial_files/image072.png" align=right hspace=9 v:shapes="Picture_x0020_28"><![endif]>Start
     2049</v:shape><![endif]--><![if !vml]><img width=106 height=69
     2050src="SequentialTutorial_files/image070.jpg" align=right hspace=12 v:shapes="Picture_x0020_28"><![endif]>Start
    21842051the sequential refinement with the Calculate/Sequential refine</p>
    21852052
     
    21922059
    21932060<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shapetype
    2194   id="_x0000_t202" coordsize="21600,21600" o:spt="202" path="m0,0l0,21600,21600,21600,21600,0xe">
     2061  id="_x0000_t202" coordsize="21600,21600" o:spt="202" path="m,l,21600r21600,l21600,xe">
    21952062  <v:stroke joinstyle="miter"/>
    21962063  <v:path gradientshapeok="t" o:connecttype="rect"/>
     
    22052072  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
    22062073  mso-width-relative:margin;mso-height-relative:margin;v-text-anchor:top'
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    22402107" filled="f" strokecolor="#4f81bd">
     2108  <v:path arrowok="t"/>
    22412109  <v:textbox>
    22422110   <![if !mso]>
     
    22522120     font-family:Courier'> histogram PWDR OH_04.fxye Bank 1 has 6 variables<o:p></o:p></span></p>
    22532121     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
    2254      in previous but not in current: 1<span class=GramE>::</span>D22, 1::D33,
    2255      1::D11, <o:p></o:p></span></p>
     2122     in previous but not in current: 1::D22, 1::D33, 1::D11, <o:p></o:p></span></p>
    22562123     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
    22572124     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Previous
    22582125     refinement has 7 variables<o:p></o:p></span></p>
    22592126     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
    2260      in current but not in previous: 1<span class=GramE>::</span>Scale, 1::<span
    2261      class=SpellE>Mustrain;i</span>, <o:p></o:p></span></p>
     2127     in current but not in previous: 1::Scale, 1::<span class=SpellE>Mustrain<span
     2128     class=GramE>;i</span></span>, <o:p></o:p></span></p>
    22622129     <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    22632130     </div>
     
    22702137 <table cellpadding=0 cellspacing=0>
    22712138  <tr>
    2272    <td width=37 height=0></td>
     2139   <td width=48 height=0></td>
    22732140  </tr>
    22742141  <tr>
    22752142   <td></td>
    2276    <td><img width=427 height=80 src="SequentialTutorial_files/image073.png"
    2277    alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#13;current histogram PWDR OH_04.fxye Bank 1 has 6 variables&#13;Variables in previous but not in current: 1::D22, 1::D33, 1::D11, &#13;&#13;Previous refinement has 7 variables&#13;Variables in current but not in previous: 1::Scale, 1::Mustrain;i, &#13;&#13;"
     2143   <td><img width=572 height=109 src="SequentialTutorial_files/image071.png"
     2144   alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#10;&#13;&#10;current histogram PWDR OH_04.fxye Bank 1 has 6 variables&#13;&#10;Variables in previous but not in current: 1::D22, 1::D33, 1::D11, &#13;&#10;&#13;&#10;Previous refinement has 7 variables&#13;&#10;Variables in current but not in previous: 1::Scale, 1::Mustrain;i, &#13;&#10;&#13;&#10;"
    22782145   v:shapes="Text_x0020_Box_x0020_3"></td>
    22792146  </tr>
     
    22832150(This error results if the parameters for the second phase were not copied in
    22842151part 3 so that the phase fraction and strain broadening are retained for all
    2285 but the first histogram and the 1<span class=GramE>::</span><span class=SpellE>D<i
    2286 style='mso-bidi-font-style:normal'>ii</i></span> terms are only included the
    2287 first.)</p>
     2152but the first histogram and the 1::<span class=SpellE>D<i style='mso-bidi-font-style:
     2153normal'>ii</i></span> terms are only included the first.)</p>
    22882154
    22892155<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
     
    22932159<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
    22942160
    2295 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo11'><![if !supportLists]><span
    2296 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2297 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2161<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo14'><![if !supportLists]><span
     2162style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2163style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    22982164</span></span></span><![endif]>When the refinement completes, a window will be
    22992165displayed where you are asked if you want to load the results:</p>
     
    23112177  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
    23122178  mso-width-relative:page;mso-height-relative:page'>
    2313   <v:imagedata src="SequentialTutorial_files/image074.png" o:title=""
     2179  <v:imagedata src="SequentialTutorial_files/image072.png" o:title=""
    23142180   croptop="5978f" cropbottom="14816f" cropleft="4284f" cropright="4357f"/>
    23152181  <w:wrap type="topAndBottom"/>
     
    23172183 <table cellpadding=0 cellspacing=0 align=left>
    23182184  <tr>
    2319    <td width=78 height=0></td>
     2185   <td width=104 height=0></td>
    23202186  </tr>
    23212187  <tr>
    23222188   <td></td>
    2323    <td><img width=243 height=79 src="SequentialTutorial_files/image075.png"
     2189   <td><img width=321 height=103 src="SequentialTutorial_files/image073.png"
    23242190   v:shapes="Picture_x0020_29"></td>
    23252191  </tr>
     
    23372203<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    23382204mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_41" o:spid="_x0000_i1038"
    2339  type="#_x0000_t75" style='width:353pt;height:179pt;visibility:visible;
     2205 type="#_x0000_t75" style='width:353.25pt;height:179.25pt;visibility:visible;
    23402206 mso-wrap-style:square'>
    2341  <v:imagedata src="SequentialTutorial_files/image076.png" o:title="" croptop="2939f"
     2207 <v:imagedata src="SequentialTutorial_files/image074.png" o:title="" croptop="2939f"
    23422208  cropbottom="7921f" cropleft="2809f" cropright="3415f"/>
    2343 </v:shape><![endif]--><![if !vml]><img border=0 width=355 height=181
    2344 src="SequentialTutorial_files/image077.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2209</v:shape><![endif]--><![if !vml]><img width=471 height=239
     2210src="SequentialTutorial_files/image075.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    23452211
    23462212<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    23552221100*(4.1-4.0)/4.0, or 2.5).</span> Since the convergence criterion in the
    23562222controls is 0.0001 (or 0.01%) we can see that only two of the refinements shown
    2357 failed to converge &#8211; these are highlighted in yellow. However, these
    2358 shifts are still quite small, so that there is no reason to provide further
    2359 cycles of refinement without adding new variable parameters. </p>
     2223failed to converge – these are highlighted in yellow. However, these shifts are
     2224still quite small, so that there is no reason to provide further cycles of
     2225refinement without adding new variable parameters. </p>
    23602226
    23612227<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    23722238<p class=MsoListParagraphCxSpMiddle>Before going farther, it is useful to
    23732239review the trends in the lattice parameters as a sanity check. This can be done
    2374 by double-clicking on a column of the table, such as the 0<span class=GramE>::</span>b
    2375 parameter, which displays this plot:</p>
     2240by double-clicking on a column of the table, such as the 0::b parameter, which
     2241displays this plot:</p>
    23762242
    23772243<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    23792245<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    23802246mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42" o:spid="_x0000_i1037"
    2381  type="#_x0000_t75" style='width:349pt;height:300pt;visibility:visible;
     2247 type="#_x0000_t75" style='width:348.75pt;height:300pt;visibility:visible;
    23822248 mso-wrap-style:square'>
    2383  <v:imagedata src="SequentialTutorial_files/image078.png" o:title="" croptop="1185f"
     2249 <v:imagedata src="SequentialTutorial_files/image076.png" o:title="" croptop="1185f"
    23842250  cropbottom="2863f" cropleft="1936f" cropright="1768f"/>
    2385 </v:shape><![endif]--><![if !vml]><img border=0 width=351 height=302
    2386 src="SequentialTutorial_files/image079.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2251</v:shape><![endif]--><![if !vml]><img width=465 height=400
     2252src="SequentialTutorial_files/image077.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    23872253
    23882254<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    23922258 text-align:left;margin-left:108.85pt;margin-top:423.2pt;width:160.05pt;
    23932259 height:154.9pt;z-index:251687936;visibility:visible;mso-wrap-style:square;
    2394  mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
     2260 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
     2261 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    23952262 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    23962263 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
    2397  mso-position-vertical-relative:margin'>
    2398  <v:imagedata src="SequentialTutorial_files/image080.png" o:title="" croptop="4537f"
     2264 mso-position-vertical-relative:margin;mso-width-percent:0;
     2265 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
     2266 <v:imagedata src="SequentialTutorial_files/image078.png" o:title="" croptop="4537f"
    23992267  cropbottom="8924f" cropleft="6531f" cropright="6547f"/>
    24002268 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    2401 </v:shape><![endif]--><![if !vml]><img width=162 height=157
    2402 src="SequentialTutorial_files/image081.png" align=right hspace=9 v:shapes="Picture_x0020_43"><![endif]>Pressing
    2403 the ÒKÓ icon or pressing the ÒsÓ key brings up a menu where the x-axis can be
    2404 selected as temperature. If the plot fails to update, click on another column
    2405 and then return to the original column. </p>
     2269</v:shape><![endif]--><![if !vml]><img width=213 height=207
     2270src="SequentialTutorial_files/image079.png" align=right hspace=12 v:shapes="Picture_x0020_43"><![endif]>Pressing
     2271the “K” icon or pressing the “s” key brings up a menu where the x-axis can be selected
     2272as temperature. If the plot fails to update, click on another column and then
     2273return to the original column. </p>
    24062274
    24072275<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    24092277<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    24102278mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_45" o:spid="_x0000_i1036"
    2411  type="#_x0000_t75" style='width:292pt;height:222pt;visibility:visible;
     2279 type="#_x0000_t75" style='width:291.75pt;height:222pt;visibility:visible;
    24122280 mso-wrap-style:square'>
    2413  <v:imagedata src="SequentialTutorial_files/image082.png" o:title=""/>
    2414 </v:shape><![endif]--><![if !vml]><img border=0 width=294 height=224
    2415 src="SequentialTutorial_files/image083.png" v:shapes="Picture_x0020_45"><![endif]><span
    2416 style="mso-spacerun:yes">&nbsp;</span></span></p>
     2281 <v:imagedata src="SequentialTutorial_files/image080.png" o:title=""/>
     2282</v:shape><![endif]--><![if !vml]><img width=389 height=296
     2283src="SequentialTutorial_files/image081.jpg" v:shapes="Picture_x0020_45"><![endif]><span
     2284style='mso-spacerun:yes'> </span></span></p>
    24172285
    24182286<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
     
    24212289
    24222290<p class=MsoNormal>At this point we choose to continue the refinements from
    2423 their current values (note that the ÒCopy results to next histogramÓ checkbox
     2291their current values (note that the “Copy results to next histogram” checkbox
    24242292is automatically unchecked after a successful sequential refinement.) including
    24252293some additional parameters in the refinement. We will do this is a few steps. </p>
    24262294
    2427 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2428 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2429 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2295<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2296style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2297style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    24302298</span></span></span><![endif]>Restore the background parameters as before for
    24312299any one histogram and then use the File/Copy flags menu item to copy these
     
    24372305
    24382306<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    2439 mso-no-proof:yes'><span style="mso-spacerun:yes">&nbsp;</span><!--[if gte vml 1]><v:shape
     2307mso-no-proof:yes'><span style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape
    24402308 id="Picture_x0020_47" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:4in;
    24412309 height:132pt;visibility:visible;mso-wrap-style:square'>
    2442  <v:imagedata src="SequentialTutorial_files/image084.png" o:title="" croptop="4514f"
     2310 <v:imagedata src="SequentialTutorial_files/image082.png" o:title="" croptop="4514f"
    24432311  cropbottom="9604f" cropleft="4103f" cropright="3837f"/>
    2444 </v:shape><![endif]--><![if !vml]><img border=0 width=290 height=134
    2445 src="SequentialTutorial_files/image085.png" v:shapes="Picture_x0020_47"><![endif]><o:p></o:p></span></p>
     2312</v:shape><![endif]--><![if !vml]><img width=384 height=176
     2313src="SequentialTutorial_files/image083.png" v:shapes="Picture_x0020_47"><![endif]><o:p></o:p></span></p>
    24462314
    24472315<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    24502318 o:spid="_x0000_s1027" type="#_x0000_t75" style='position:absolute;left:0;
    24512319 text-align:left;margin-left:0;margin-top:0;width:56pt;height:35pt;z-index:251688960;
    2452  visibility:visible;mso-wrap-style:square;mso-wrap-distance-left:9pt;
    2453  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
    2454  mso-wrap-distance-bottom:0;mso-position-horizontal:left;
    2455  mso-position-horizontal-relative:margin;mso-position-vertical:top;
    2456  mso-position-vertical-relative:margin'>
     2320 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
     2321 mso-height-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
     2322 mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
     2323 mso-position-horizontal:left;mso-position-horizontal-relative:margin;
     2324 mso-position-vertical:top;mso-position-vertical-relative:margin;
     2325 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
     2326 mso-height-relative:page'>
     2327 <v:imagedata src="SequentialTutorial_files/image084.png" o:title=""/>
     2328 <w:wrap type="square" anchorx="margin" anchory="margin"/>
     2329</v:shape><![endif]--><![if !vml]><img width=75 height=47
     2330src="SequentialTutorial_files/image085.jpg" align=left hspace=12 v:shapes="Picture_x0020_48"><![endif]><span
     2331style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2332 id="Picture_x0020_49" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:158.25pt;
     2333 height:152.25pt;visibility:visible;mso-wrap-style:square'>
    24572334 <v:imagedata src="SequentialTutorial_files/image086.png" o:title=""/>
    2458  <w:wrap type="square" anchorx="margin" anchory="margin"/>
    2459 </v:shape><![endif]--><![if !vml]><img width=58 height=37
    2460 src="SequentialTutorial_files/image087.png" align=left hspace=9 v:shapes="Picture_x0020_48"><![endif]><span
    2461 style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2462  id="Picture_x0020_49" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:158pt;
    2463  height:152pt;visibility:visible;mso-wrap-style:square'>
    2464  <v:imagedata src="SequentialTutorial_files/image088.png" o:title=""/>
    2465 </v:shape><![endif]--><![if !vml]><img border=0 width=160 height=154
    2466 src="SequentialTutorial_files/image089.png" v:shapes="Picture_x0020_49"><![endif]></span></p>
     2335</v:shape><![endif]--><![if !vml]><img width=211 height=203
     2336src="SequentialTutorial_files/image087.jpg" v:shapes="Picture_x0020_49"><![endif]></span></p>
    24672337
    24682338<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    24692339
    2470 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2471 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2472 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2340<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2341style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2342style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    24732343</span></span></span><![endif]>Likewise, include the Sample X displacement
    24742344parameter and again use the Command/Copy flags menu item. </p>
     
    24782348<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    24792349mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84" o:spid="_x0000_i1033"
    2480  type="#_x0000_t75" alt="Description: BHT3 HD:private:tmp:s1.png" style='width:178pt;
    2481  height:233pt;visibility:visible;mso-wrap-style:square'>
    2482  <v:imagedata src="SequentialTutorial_files/image090.png" o:title="s1.png"
     2350 type="#_x0000_t75" alt="Description: BHT3 HD:private:tmp:s1.png" style='width:177.75pt;
     2351 height:233.25pt;visibility:visible;mso-wrap-style:square'>
     2352 <v:imagedata src="SequentialTutorial_files/image088.png" o:title="s1"
    24832353  croptop="2496f" cropbottom="6549f" cropleft="5811f" cropright="6065f"/>
    2484 </v:shape><![endif]--><![if !vml]><img border=0 width=180 height=235
    2485 src="SequentialTutorial_files/image091.png"
     2354</v:shape><![endif]--><![if !vml]><img width=237 height=311
     2355src="SequentialTutorial_files/image089.png"
    24862356alt="Description: BHT3 HD:private:tmp:s1.png" v:shapes="Picture_x0020_84"><![endif]></span></p>
    24872357
    24882358<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    24892359
    2490 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2491 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2492 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2360<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2361style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2362style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    24932363</span></span></span><![endif]>For Phase parameters add the three broadening
    2494 terms for the CuCr<sub>2</sub>O<sub>4</sub> phase and the press the ÒCopy
    2495 flags?Ó button. (Important: not the Copy button!) For the <span class=SpellE>CuO</span>
     2364terms for the CuCr<sub>2</sub>O<sub>4</sub> phase and the press the “Copy
     2365flags?” button. (Important: not the Copy button!) For the <span class=SpellE>CuO</span>
    24962366phase, add the single sample broadening term and the remaining lattice
    2497 parameter via the D13 term. <span style="mso-spacerun:yes">&nbsp;</span>Again,
    2498 use the ÒCopy flags?Ó button. Note that an additional step is needed in order
    2499 to vary Phase fractions, as will be discussed below. </p>
     2367parameter via the D13 term.<span style='mso-spacerun:yes'>  </span>Again, use
     2368the “Copy flags?” button. Note that an additional step is needed in order to
     2369vary Phase fractions, as will be discussed below. </p>
    25002370
    25012371<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    25032373<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    25042374mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52" o:spid="_x0000_i1032"
    2505  type="#_x0000_t75" style='width:249pt;height:181pt;visibility:visible;
     2375 type="#_x0000_t75" style='width:249pt;height:180.75pt;visibility:visible;
     2376 mso-wrap-style:square'>
     2377 <v:imagedata src="SequentialTutorial_files/image090.png" o:title=""/>
     2378</v:shape><![endif]--><![if !vml]><img width=332 height=241
     2379src="SequentialTutorial_files/image091.jpg" v:shapes="Picture_x0020_52"><![endif]></span></p>
     2380
     2381<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     2382
     2383<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
     2384mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53" o:spid="_x0000_i1031"
     2385 type="#_x0000_t75" style='width:249pt;height:186.75pt;visibility:visible;
    25062386 mso-wrap-style:square'>
    25072387 <v:imagedata src="SequentialTutorial_files/image092.png" o:title=""/>
    2508 </v:shape><![endif]--><![if !vml]><img border=0 width=251 height=183
    2509 src="SequentialTutorial_files/image093.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
    2510 
    2511 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    2512 
    2513 <p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    2514 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53" o:spid="_x0000_i1031"
    2515  type="#_x0000_t75" style='width:249pt;height:187pt;visibility:visible;
    2516  mso-wrap-style:square'>
    2517  <v:imagedata src="SequentialTutorial_files/image094.png" o:title=""/>
    2518 </v:shape><![endif]--><![if !vml]><img border=0 width=251 height=189
    2519 src="SequentialTutorial_files/image095.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
    2520 
    2521 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    2522 
    2523 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2524 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2525 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2388</v:shape><![endif]--><![if !vml]><img width=332 height=249
     2389src="SequentialTutorial_files/image093.jpg" v:shapes="Picture_x0020_53"><![endif]></span></p>
     2390
     2391<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     2392
     2393<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2394style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2395style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    25262396</span></span></span><![endif]>Start the sequential refinement again with the
    25272397Calculate/Sequential refine menu item. The fits are significantly improved at
     
    25312401<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    25322402
    2533 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2534 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2535 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2403<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2404style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2405style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    25362406</span></span></span><![endif]>We can now add the phase fractions into the
    25372407refinement, by clicking on the Phase fraction checkbox and Copy Flags button
     
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    25872456" filled="f" strokecolor="#4f81bd">
     2457  <v:path arrowok="t"/>
    25882458  <v:textbox>
    25892459   <![if !mso]>
     
    25992469     font-family:Courier'> histogram PWDR OH_04.fxye Bank 1 has 24 variables<o:p></o:p></span></p>
    26002470     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
    2601      in previous but not in current<span class=GramE>: :</span>:constr0, <o:p></o:p></span></p>
     2471     in previous but not in current<span class=GramE>: ::constr0</span>, <o:p></o:p></span></p>
    26022472     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
    26032473     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Previous
    26042474     refinement has 23 variables<o:p></o:p></span></p>
    26052475     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
    2606      in current but not in previous: 1<span class=GramE>::</span>Scale,
    2607      0::Scale, <o:p></o:p></span></p>
     2476     in current but not in previous: 1::Scale, 0::Scale, <o:p></o:p></span></p>
    26082477     <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    26092478     </div>
     
    26162485 <table cellpadding=0 cellspacing=0 align=left>
    26172486  <tr>
    2618    <td width=49 height=0></td>
     2487   <td width=64 height=0></td>
    26192488  </tr>
    26202489  <tr>
    26212490   <td></td>
    2622    <td><img width=427 height=80 src="SequentialTutorial_files/image096.png"
    2623    alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#13;current histogram PWDR OH_04.fxye Bank 1 has 24 variables&#13;Variables in previous but not in current: ::constr0, &#13;&#13;Previous refinement has 23 variables&#13;Variables in current but not in previous: 1::Scale, 0::Scale, &#13;&#13;"
     2491   <td><img width=572 height=108 src="SequentialTutorial_files/image094.png"
     2492   alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#10;&#13;&#10;current histogram PWDR OH_04.fxye Bank 1 has 24 variables&#13;&#10;Variables in previous but not in current: ::constr0, &#13;&#10;&#13;&#10;Previous refinement has 23 variables&#13;&#10;Variables in current but not in previous: 1::Scale, 0::Scale, &#13;&#10;&#13;&#10;"
    26242493   v:shapes="Text_x0020_Box_x0020_87"></td>
    26252494  </tr>
     
    26442513
    26452514<p class=MsoListParagraphCxSpMiddle>To set up the new constraint, click on the
    2646 Constraints item in the data tree and the Select tab/ÓHistogram/PhaseÓ <span
    2647 class=GramE>menu<span style="mso-spacerun:yes">&nbsp; </span>item</span>, and
    2648 then click on the Edit/Add constraint menu item. From the menu, we want one of
    2649 the two x<span class=GramE><span style='font-family:Courier'>:*</span></span><span
    2650 style='font-family:Courier'>:Scale</span> wild card phase fractions. </p>
    2651 
    2652 <p class=MsoListParagraphCxSpMiddle><span
    2653 style="mso-spacerun:yes">&nbsp;</span><span style='mso-fareast-language:EN-US;
    2654 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_26" o:spid="_x0000_i1030"
    2655  type="#_x0000_t75" style='width:359pt;height:155pt;visibility:visible;
    2656  mso-wrap-style:square'>
    2657  <v:imagedata src="SequentialTutorial_files/image097.png" o:title="" croptop="3844f"
     2515Constraints item in the data tree and the Select tab/”Histogram/Phase”
     2516menu<span style='mso-spacerun:yes'>  </span>item, and then click on the
     2517Edit/Add constraint menu item. From the menu, we want one of the two x<span
     2518style='font-family:Courier'>:*<span class=GramE>:Scale</span></span> wild card
     2519phase fractions. </p>
     2520
     2521<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
     2522style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2523 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:359.25pt;
     2524 height:155.25pt;visibility:visible;mso-wrap-style:square'>
     2525 <v:imagedata src="SequentialTutorial_files/image095.png" o:title="" croptop="3844f"
    26582526  cropbottom="8174f" cropleft="3258f" cropright="2910f"/>
    2659 </v:shape><![endif]--><![if !vml]><img border=0 width=361 height=157
    2660 src="SequentialTutorial_files/image098.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
     2527</v:shape><![endif]--><![if !vml]><img width=479 height=207
     2528src="SequentialTutorial_files/image096.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
    26612529
    26622530<p class=MsoListParagraphCxSpMiddle>There will only be one possible matching
     
    26652533<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    26662534mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" o:spid="_x0000_i1029"
    2667  type="#_x0000_t75" style='width:311pt;height:104pt;visibility:visible;
     2535 type="#_x0000_t75" style='width:311.25pt;height:104.25pt;visibility:visible;
    26682536 mso-wrap-style:square'>
    2669  <v:imagedata src="SequentialTutorial_files/image099.png" o:title="" croptop="5557f"
     2537 <v:imagedata src="SequentialTutorial_files/image097.png" o:title="" croptop="5557f"
    26702538  cropbottom="11943f" cropleft="3390f" cropright="3551f"/>
    2671 </v:shape><![endif]--><![if !vml]><img border=0 width=313 height=106
    2672 src="SequentialTutorial_files/image100.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     2539</v:shape><![endif]--><![if !vml]><img width=415 height=139
     2540src="SequentialTutorial_files/image098.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    26732541
    26742542<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    26792547<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    26802548mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_28" o:spid="_x0000_i1028"
    2681  type="#_x0000_t75" style='width:250pt;height:83pt;visibility:visible;
     2549 type="#_x0000_t75" style='width:249.75pt;height:83.25pt;visibility:visible;
    26822550 mso-wrap-style:square'>
    2683  <v:imagedata src="SequentialTutorial_files/image101.png" o:title="" croptop="6527f"
     2551 <v:imagedata src="SequentialTutorial_files/image099.png" o:title="" croptop="6527f"
    26842552  cropbottom="13784f" cropleft="4299f" cropright="4371f"/>
    2685 </v:shape><![endif]--><![if !vml]><img border=0 width=252 height=85
    2686 src="SequentialTutorial_files/image102.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     2553</v:shape><![endif]--><![if !vml]><img width=333 height=111
     2554src="SequentialTutorial_files/image100.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    26872555
    26882556<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    26922560remove it.</p>
    26932561
    2694 <p class=MsoListParagraphCxSpMiddle><span
    2695 style="mso-spacerun:yes">&nbsp;</span><span style='mso-fareast-language:EN-US;
    2696 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_29" o:spid="_x0000_i1027"
    2697  type="#_x0000_t75" style='width:253pt;height:84pt;visibility:visible;
    2698  mso-wrap-style:square'>
    2699  <v:imagedata src="SequentialTutorial_files/image103.png" o:title="" croptop="7993f"
     2562<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
     2563style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     2564 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:252.75pt;
     2565 height:84pt;visibility:visible;mso-wrap-style:square'>
     2566 <v:imagedata src="SequentialTutorial_files/image101.png" o:title="" croptop="7993f"
    27002567  cropbottom="14017f" cropleft="4425f" cropright="4157f"/>
    2701 </v:shape><![endif]--><![if !vml]><img border=0 width=255 height=86
    2702 src="SequentialTutorial_files/image104.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    2703 
    2704 <p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    2705 
    2706 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2707 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2708 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2568</v:shape><![endif]--><![if !vml]><img width=337 height=112
     2569src="SequentialTutorial_files/image102.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     2570
     2571<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     2572
     2573<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2574style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2575style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    27092576</span></span></span><![endif]>Start the sequential refinement again with the
    27102577Calculate/Sequential refine menu item. Three new columns appear at the end of
    2711 the table, <span class=GramE>for <span style='font-family:Courier'>:</span></span><span
    2712 style='font-family:Courier'>:constr0</span> (generated by the constraint) and
     2578the table, <span class=GramE>for <span style='font-family:Courier'>::</span></span><span
     2579style='font-family:Courier'>constr0</span> (generated by the constraint) and
    27132580the initial variables, <span style='font-family:Courier'>0:*:Scale</span> and <span
    27142581style='font-family:Courier'>1:*:Scale</span>. Changes to the <span
     
    27242591coordinates for each phase and these will be refined for each histogram, but
    27252592are not saved individually, except in the summary table.<span
    2726 style="mso-spacerun:yes">&nbsp; </span>If we restart the refinement, the
    2727 coordinates from the last histogram will be used to fit the first. The Reverse
    2728 order checkbox on the Controls causes the sequential refinement to start with
    2729 the last histogram, which would avoid this problem. </p>
     2593style='mso-spacerun:yes'>  </span>If we restart the refinement, the coordinates
     2594from the last histogram will be used to fit the first. The Reverse order
     2595checkbox on the Controls causes the sequential refinement to start with the
     2596last histogram, which would avoid this problem. </p>
    27302597
    27312598<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
     
    27352602refinement controls dialog opens, select X to refine coordinates (only O has
    27362603coordinates not fixed by symmetry) and U to refine the atomic displacement (<span
    2737 class=SpellE>Uiso</span>) values. <span
    2738 style="mso-spacerun:yes">&nbsp;</span>Press OK. </p>
     2604class=SpellE>Uiso</span>) values.<span style='mso-spacerun:yes'>  </span>Press
     2605OK. </p>
    27392606
    27402607<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    27412608mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_31" o:spid="_x0000_i1026"
    2742  type="#_x0000_t75" style='width:167pt;height:156pt;visibility:visible;
     2609 type="#_x0000_t75" style='width:167.25pt;height:156pt;visibility:visible;
     2610 mso-wrap-style:square'>
     2611 <v:imagedata src="SequentialTutorial_files/image103.png" o:title=""/>
     2612</v:shape><![endif]--><![if !vml]><img width=223 height=208
     2613src="SequentialTutorial_files/image104.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2614
     2615<p class=MsoListParagraphCxSpMiddle>Note the change in the atom table.</p>
     2616
     2617<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
     2618mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32" o:spid="_x0000_i1025"
     2619 type="#_x0000_t75" style='width:353.25pt;height:152.25pt;visibility:visible;
    27432620 mso-wrap-style:square'>
    27442621 <v:imagedata src="SequentialTutorial_files/image105.png" o:title=""/>
    2745 </v:shape><![endif]--><![if !vml]><img border=0 width=169 height=158
    2746 src="SequentialTutorial_files/image106.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    2747 
    2748 <p class=MsoListParagraphCxSpMiddle>Note the change in the atom table.</p>
    2749 
    2750 <p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    2751 mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32" o:spid="_x0000_i1025"
    2752  type="#_x0000_t75" style='width:353pt;height:152pt;visibility:visible;
    2753  mso-wrap-style:square'>
    2754  <v:imagedata src="SequentialTutorial_files/image107.png" o:title=""/>
    2755 </v:shape><![endif]--><![if !vml]><img border=0 width=355 height=154
    2756 src="SequentialTutorial_files/image108.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2622</v:shape><![endif]--><![if !vml]><img width=471 height=203
     2623src="SequentialTutorial_files/image106.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    27572624
    27582625<p class=MsoListParagraphCxSpMiddle>Note that since these parameters are shared
     
    27622629<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    27632630
    2764 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
    2765 style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
    2766 style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
     2631<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
     2632style='mso-fareast-font-family:Cambria;mso-bidi-font-family:Cambria'><span
     2633style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    27672634</span></span></span><![endif]>Start the sequential refinement again with the
    27682635Calculate/Sequential refine menu item. The fits are significantly improved at
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