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Timestamp:
Mar 20, 2015 8:49:59 AM (8 years ago)
Author:
vondreele
Message:

changes to various tutorials - mostly getting file references correct & removing hyperlinks

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1 edited

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  • Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm

    r1684 r1745  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>4</o:Revision>
    28   <o:TotalTime>672</o:TotalTime>
     27  <o:Revision>5</o:Revision>
     28  <o:TotalTime>673</o:TotalTime>
    2929  <o:Created>2015-02-12T20:52:00Z</o:Created>
    30   <o:LastSaved>2015-02-18T19:20:00Z</o:LastSaved>
     30  <o:LastSaved>2015-03-20T13:39:00Z</o:LastSaved>
    3131  <o:Pages>1</o:Pages>
    32   <o:Words>2183</o:Words>
    33   <o:Characters>12449</o:Characters>
     32  <o:Words>2182</o:Words>
     33  <o:Characters>12442</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    3535  <o:Lines>103</o:Lines>
    3636  <o:Paragraphs>29</o:Paragraphs>
    37   <o:CharactersWithSpaces>14603</o:CharactersWithSpaces>
     37  <o:CharactersWithSpaces>14595</o:CharactersWithSpaces>
    3838  <o:Version>15.00</o:Version>
    3939 </o:DocumentProperties>
    … …  
    4848<!--[if gte mso 9]><xml>
    4949 <w:WordDocument>
     50  <w:Zoom>116</w:Zoom>
    5051  <w:SpellingState>Clean</w:SpellingState>
    5152  <w:GrammarState>Clean</w:GrammarState>
    … …  
    709710        font-weight:bold;}
    710711h2
    711         {mso-style-priority:9;
     712        {mso-style-noshow:yes;
     713        mso-style-priority:9;
    712714        mso-style-qformat:yes;
    713715        mso-style-link:"Heading 2 Char";
    … …  
    955957span.Heading2Char
    956958        {mso-style-name:"Heading 2 Char";
     959        mso-style-noshow:yes;
    957960        mso-style-priority:9;
    958961        mso-style-unhide:no;
    … …  
    11351138<p class=MsoNormal>In this tutorial, data collected on the SNS instrument
    11361139POWGEN, are used. The calibration process will use the fitted positions of all
    1137 visible peaks in a pattern of NIST SRM 660b La<sup>10</sup>B<sub>6</sub> (a=4.15689Å)
    1138 obtained in a multiple single peak fit. The positions will be compared to those
    1139 expected from the known lattice parameters to establish the diffractometer
    1140 constants (<span class=SpellE>difC</span>, <span class=SpellE>difA</span>, <span
    1141 class=SpellE>difB</span> and Zero) used for calculating TOF peak positions from
    1142 d-<span class=SpellE>spacings</span>. For the second part of this tutorial, the
    1143 suite of peaks will be extended to include every visible peak in the pattern
    1144 and the peak fitting will include the various profile coefficients thus fully
    1145 describing the instrument contribution to the peak profiles. Note that menu
    1146 entries and user input are shown in bold face below as <b style='mso-bidi-font-weight:
    1147 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1148 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1149 mso-bidi-theme-font:minor-latin'>Help/About GSAS-II</span></b>, which lists
    1150 first the name of the menu (here <b style='mso-bidi-font-weight:normal'><span
     1140visible peaks in a pattern of NIST SRM 660b La<sup>10</sup>B<sub>6</sub>
     1141(a=4.15689Å) obtained in a multiple single peak fit. The positions will be
     1142compared to those expected from the known lattice parameters to establish the
     1143diffractometer constants (<span class=SpellE>difC</span>, <span class=SpellE>difA</span>,
     1144<span class=SpellE>difB</span> and Zero) used for calculating TOF peak
     1145positions from d-<span class=SpellE>spacings</span>. For the second part of
     1146this tutorial, the suite of peaks will be extended to include every visible
     1147peak in the pattern and the peak fitting will include the various profile
     1148coefficients thus fully describing the instrument contribution to the peak
     1149profiles. Note that menu entries and user input are shown in bold face below as
     1150<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1151mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1152Calibri;mso-bidi-theme-font:minor-latin'>Help/About GSAS-II</span></b>, which
     1153lists first the name of the menu (here <b style='mso-bidi-font-weight:normal'><span
    11511154style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11521155mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    … …  
    11741177normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    11751178minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1176 mso-bidi-theme-font:minor-latin'>/Exercises/TOF Powder Calibration</span></b>
    1177 and then select the file </p>
    1178 
    1179 <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
    1180 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1181 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1182 minor-latin'>PG3_17541.gsa</span></b> and press <b style='mso-bidi-font-weight:
     1179mso-bidi-theme-font:minor-latin'>/exercises/TOF Calibration</span></b> and then
     1180select the file <b style='mso-bidi-font-weight:normal'><span style='font-family:
     1181"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1182minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>PG3_17541.gsa</span></b>
     1183and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1184mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1185Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>.<span
     1186style='mso-no-proof:yes'> A window will appear “</span><b style='mso-bidi-font-weight:
    11831187normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1184 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1185 mso-bidi-theme-font:minor-latin'>Open</span></b>.<span style='mso-no-proof:
    1186 yes'> A window will appear “</span><b style='mso-bidi-font-weight:normal'><span
    1187 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1188 mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Is this the file you want?</span></b><span
    1189 style='mso-no-proof:yes'>”. Press Yes.<o:p></o:p></span></p>
    1190 
    1191 <p class=MsoNormal><span style='mso-no-proof:yes'>The file selection dialog
     1188minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Is this the file
     1189you want?</span></b><span style='mso-no-proof:yes'>”. Press </span><b
     1190style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1191mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
     1192yes'>Yes</span></b><span style='mso-no-proof:yes'>. The file selection dialog
    11921193will reappear; select the </span><b style='mso-bidi-font-weight:normal'><span
    11931194style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    … …  
    11951196style='mso-no-proof:yes'> file. It contains the POWGEN instrument parameters
    11961197provided along with the data; this file is in the old GSAS iparm file format
    1197 and does not include all the instrument parameters used by GSAS-II. This is
    1198 what we will be improving in this tutorial.<o:p></o:p></span></p>
     1198and does not include all the instrument parameters used by GSAS-II. This is what
     1199we will be improving in this tutorial.<o:p></o:p></span></p>
    11991200
    12001201<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
    … …  
    12941295<p class=MsoNormal>To do the initial fit to the peaks, select the <b
    12951296style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1296 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak Fitting/<span
    1297 class=SpellE>Peakfit</span></span></b> menu item in the <b style='mso-bidi-font-weight:
    1298 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1299 minor-latin;mso-hansi-theme-font:minor-latin'>Peak List</span></b> data window.
    1300 GSAS-II will ask for a project name before continuing, enter a name (I chose <b
     1297mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak
     1298Fitting/<span class=SpellE>Peakfit</span></span></b> menu item in the <b
    13011299style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1302 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>calibrate</span></b>).
    1303 The project file (<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1304 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1305 mso-hansi-theme-font:minor-latin'>calibrate.gpx</span></b></span>) will be
    1306 written into your local directory selected in the File Dialog; then the refinement
    1307 will proceed. The resulting plot will look like (I keyed ‘<b style='mso-bidi-font-weight:
    1308 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1309 minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>’ and ‘<b
     1300mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peak List</span></b>
     1301data window. GSAS-II will ask for a project name before continuing, enter a
     1302name (I chose <b style='mso-bidi-font-weight:normal'><span style='font-family:
     1303"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1304minor-latin'>calibrate</span></b>). The project file (<span class=SpellE><b
    13101305style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1306mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>calibrate.gpx</span></b></span>)
     1307will be written into your local directory selected in the File Dialog; then the
     1308refinement will proceed. The resulting plot will look like (I keyed ‘<b
     1309style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1310mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>’
     1311and ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    13111312mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>q</span></b>’
    13121313on the plot to get a <span class=SpellE>sqrt</span>(I) vs q plot which spread
    … …  
    13141315
    13151316<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1316  id="_x0000_i1054" type="#_x0000_t75" style='width:525pt;height:450pt;
    1317  visibility:visible;mso-wrap-style:square'>
     1317 id="Picture_x0020_4" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:525pt;
     1318 height:450pt;visibility:visible;mso-wrap-style:square'>
    13181319 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image006.png"
    13191320  o:title=""/>
    13201321</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    13211322src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image006.png"
    1322 v:shapes="_x0000_i1054"><![endif]></span></p>
     1323v:shapes="Picture_x0020_4"><![endif]></span></p>
    13231324
    13241325<p class=MsoNormal>The fit to the background can be improved by adding more
    … …  
    13441345
    13451346<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1346  id="_x0000_i1053" type="#_x0000_t75" style='width:525pt;height:450pt;
    1347  visibility:visible;mso-wrap-style:square'>
     1347 id="Picture_x0020_5" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:525pt;
     1348 height:450pt;visibility:visible;mso-wrap-style:square'>
    13481349 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image007.png"
    13491350  o:title=""/>
    13501351</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    13511352src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image007.png"
    1352 v:shapes="_x0000_i1053"><![endif]></span></p>
     1353v:shapes="Picture_x0020_5"><![endif]></span></p>
    13531354
    13541355<h2>Step 4: Setup for calibration</h2>
    … …  
    13661367
    13671368<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1368  id="_x0000_i1052" type="#_x0000_t75" style='width:367.5pt;height:225pt;
    1369  visibility:visible;mso-wrap-style:square'>
     1369 id="Picture_x0020_6" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:367.5pt;
     1370 height:225pt;visibility:visible;mso-wrap-style:square'>
    13701371 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image008.png"
    13711372  o:title=""/>
    13721373</v:shape><![endif]--><![if !vml]><img border=0 width=490 height=300
    13731374src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image008.png"
    1374 v:shapes="_x0000_i1052"><![endif]></span></p>
     1375v:shapes="Picture_x0020_6"><![endif]></span></p>
    13751376
    13761377<p class=MsoNormal>Next, select the <b style='mso-bidi-font-weight:normal'><span
    … …  
    13941395
    13951396<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1396  id="_x0000_i1051" type="#_x0000_t75" style='width:546pt;height:184.5pt;
    1397  visibility:visible;mso-wrap-style:square'>
     1397 id="Picture_x0020_7" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:546pt;
     1398 height:184.5pt;visibility:visible;mso-wrap-style:square'>
    13981399 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image009.png"
    13991400  o:title=""/>
    14001401</v:shape><![endif]--><![if !vml]><img border=0 width=728 height=246
    14011402src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image009.png"
    1402 v:shapes="_x0000_i1051"><![endif]></span></p>
     1403v:shapes="Picture_x0020_7"><![endif]></span></p>
    14031404
    14041405<p class=MsoNormal>Press the <b style='mso-bidi-font-weight:normal'><span
    … …  
    14061407mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b>
    14071408button, the plot should show a suite of red dashed vertical lines giving all
    1408 the allowed reflection positions which should closely match the blue peak position
    1409 lines.</p>
     1409the allowed reflection positions which should closely match the blue peak
     1410position lines.</p>
    14101411
    14111412<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    … …  
    14601461mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
    14611462 id="_x0000_i1025" type="#_x0000_t75" style='width:2in;height:18.75pt'>
    1462  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image022.png"
     1463 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image012.png"
    14631464  o:title="" chromakey="white"/>
    14641465</v:shape><![endif]--><![if !vml]><img width=192 height=25
    1465 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image018.png"
     1466src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image013.png"
    14661467v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    14671468
    … …  
    14741475
    14751476<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1476  id="_x0000_i1048" type="#_x0000_t75" style='width:411pt;height:220.5pt;
    1477  visibility:visible;mso-wrap-style:square'>
     1477 id="Picture_x0020_10" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:411pt;
     1478 height:220.5pt;visibility:visible;mso-wrap-style:square'>
    14781479 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image014.png"
    14791480  o:title=""/>
    14801481</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
    14811482src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image014.png"
    1482 v:shapes="_x0000_i1048"><![endif]></span></p>
     1483v:shapes="Picture_x0020_10"><![endif]></span></p>
    14831484
    14841485<p class=MsoNormal>And the plot will show the corresponding function curves </p>
    … …  
    15061507
    15071508<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1508  id="_x0000_i1046" type="#_x0000_t75" style='width:560.25pt;height:450pt;
    1509  visibility:visible;mso-wrap-style:square'>
     1509 id="Picture_x0020_12" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:560.25pt;
     1510 height:450pt;visibility:visible;mso-wrap-style:square'>
    15101511 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image016.png"
    15111512  o:title=""/>
    15121513</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
    15131514src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image016.png"
    1514 v:shapes="_x0000_i1046"><![endif]></span></p>
     1515v:shapes="Picture_x0020_12"><![endif]></span></p>
    15151516
    15161517<p class=MsoNormal>It is obvious we have one very bad data point at a short
    … …  
    15321533
    15331534<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1534  id="_x0000_i1045" type="#_x0000_t75" style='width:560.25pt;height:450pt;
    1535  visibility:visible;mso-wrap-style:square'>
     1535 id="Picture_x0020_13" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:560.25pt;
     1536 height:450pt;visibility:visible;mso-wrap-style:square'>
    15361537 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image017.png"
    15371538  o:title=""/>
    15381539</v:shape><![endif]--><![if !vml]><img border=0 width=747 height=600
    15391540src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image017.png"
    1540 v:shapes="_x0000_i1045"><![endif]></span></p>
     1541v:shapes="Picture_x0020_13"><![endif]></span></p>
    15411542
    15421543<p class=MsoNormal>What is shown is the discrepancy between observed and
    … …  
    15571558 id="Picture_x0020_35" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
    15581559 height:450pt;visibility:visible;mso-wrap-style:square'>
    1559  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
     1560 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image018.png"
    15601561  o:title=""/>
    15611562</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1562 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
     1563src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image018.png"
    15631564v:shapes="Picture_x0020_35"><![endif]></span></p>
    15641565
    … …  
    15691570 id="Picture_x0020_36" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:411pt;
    15701571 height:203.25pt;visibility:visible;mso-wrap-style:square'>
    1571  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
     1572 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image019.png"
    15721573  o:title=""/>
    15731574</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
    1574 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
     1575src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image019.png"
    15751576v:shapes="Picture_x0020_36"><![endif]></span></p>
    15761577
    … …  
    15811582 id="Picture_x0020_33" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
    15821583 height:450pt;visibility:visible;mso-wrap-style:square'>
    1583  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
     1584 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image020.png"
    15841585  o:title=""/>
    15851586</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1586 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
     1587src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image020.png"
    15871588v:shapes="Picture_x0020_33"><![endif]></span></p>
    15881589
    … …  
    16201621 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:402pt;
    16211622 height:160.5pt;visibility:visible;mso-wrap-style:square'>
    1622  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
     1623 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image021.png"
    16231624  o:title=""/>
    16241625</v:shape><![endif]--><![if !vml]><img border=0 width=536 height=214
    1625 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
     1626src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image021.png"
    16261627v:shapes="Picture_x0020_18"><![endif]></span></p>
    16271628
    … …  
    16501651 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
    16511652 height:450pt;visibility:visible;mso-wrap-style:square'>
    1652  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
     1653 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image022.png"
    16531654  o:title=""/>
    16541655</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1655 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
     1656src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image022.png"
    16561657v:shapes="Picture_x0020_19"><![endif]></span></p>
    16571658
    … …  
    16681669 id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
    16691670 height:450pt;visibility:visible;mso-wrap-style:square'>
    1670  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
     1671 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image023.png"
    16711672  o:title=""/>
    16721673</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1673 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
     1674src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image023.png"
    16741675v:shapes="Picture_x0020_20"><![endif]></span></p>
    16751676
    … …  
    16771678normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    16781679minor-latin;mso-hansi-theme-font:minor-latin'>Peak fitting/<span class=SpellE>Peakfit</span></span></b>;
    1679 all peaks should fit in a few seconds and the background line should drop a bit.</p>
     1680all peaks should fit in a few seconds and the background line should drop a
     1681bit.</p>
    16801682
    16811683<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    16821684 id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
    16831685 height:450pt;visibility:visible;mso-wrap-style:square'>
    1684  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
     1686 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
    16851687  o:title=""/>
    16861688</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1687 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
     1689src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image024.png"
    16881690v:shapes="Picture_x0020_21"><![endif]></span></p>
    16891691
    … …  
    17041706 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
    17051707 height:450pt;visibility:visible;mso-wrap-style:square'>
    1706  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
     1708 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
    17071709  o:title=""/>
    17081710</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1709 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
     1711src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image025.png"
    17101712v:shapes="Picture_x0020_22"><![endif]></span></p>
    17111713
    … …  
    17311733 id="Picture_x0020_37" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:411pt;
    17321734 height:203.25pt;visibility:visible;mso-wrap-style:square'>
    1733  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
     1735 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
    17341736  o:title=""/>
    17351737</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
    1736 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
     1738src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image026.png"
    17371739v:shapes="Picture_x0020_37"><![endif]></span></p>
    17381740
    17391741<p class=MsoNormal>You should realize that alpha largely affects the sharpness
    17401742of the leading TOF edge of each peak; larger values mean sharper front edges.
    1741 Beta terms affect the trailing TOF edge in the same way. Sig terms affect the
    1742 Gaussian shape component of the peak profiles; larger values result in broader
    1743 peaks. The coefficients describe the alpha, beta and sig values as follows:</p>
     1743Beta terms affect the trailing TOF edge in the same way. Sig terms affect the Gaussian
     1744shape component of the peak profiles; larger values result in broader peaks.
     1745The coefficients describe the alpha, beta and sig values as follows:</p>
    17441746
    17451747<p class=MsoNormal><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:
    … …  
    17591761EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    17601762 type="#_x0000_t75" style='width:48pt;height:19.5pt'>
    1761  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image033.png"
     1763 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
    17621764  o:title="" chromakey="white"/>
    17631765</v:shape><![endif]--><![if !vml]><img width=64 height=26
    1764 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image019.png"
     1766src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
    17651767v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    1766 style='mso-spacerun:yes'>    </span><span style='mso-spacerun:yes'> </span><!--[if gte msEquation 12]><m:oMath><i
     1768style='mso-spacerun:yes'>     </span><!--[if gte msEquation 12]><m:oMath><i
    17671769 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
    17681770   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    18041806EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    18051807 type="#_x0000_t75" style='width:123pt;height:24pt'>
    1806  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image035.png"
     1808 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
    18071809  o:title="" chromakey="white"/>
    18081810</v:shape><![endif]--><![if !vml]><img width=164 height=32
    1809 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image020.png"
     1811src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
    18101812v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    18111813style='mso-spacerun:yes'> </span><!--[if gte msEquation 12]><m:oMath><m:sSup><m:sSupPr><span
    … …  
    18141816   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    18151817   normal'><span style='font-family:"Cambria Math",serif'><m:r><span
    1816     style='mso-spacerun:yes'>      </span></m:r><m:r>&#963;</m:r></span></i></m:e><m:sup><i
     1818    style='mso-spacerun:yes'>     </span><span
     1819    style='mso-spacerun:yes'> </span></m:r><m:r>&#963;</m:r></span></i></m:e><m:sup><i
    18171820   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i
    18181821 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:sSubSup><m:sSubSupPr><span
    … …  
    18671870EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    18681871 type="#_x0000_t75" style='width:183pt;height:25.5pt'>
    1869  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image037.png"
     1872 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
    18701873  o:title="" chromakey="white"/>
    18711874</v:shape><![endif]--><![if !vml]><img width=244 height=34
    1872 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image021.png"
     1875src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
    18731876v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    18741877
    18751878<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    18761879
    1877 <p class=MsoNormal>The refinable coefficients are: alpha (&#945;<sub>0</sub>), beta-0
    1878 (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span style='font-family:
    1879    "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:
    1880    "Cambria Math";font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
    1881    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
     1880<p class=MsoNormal>The refinable coefficients are: alpha (&#945;<sub>0</sub>),
     1881beta-0 (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
     1882   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     1883   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     1884   normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     1885   normal'><span style='font-family:"Cambria Math",serif'><m:r>&#946;</m:r></span></i></m:e><m:sub><i
    18821886   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sub></m:sSub></m:oMath><![endif]--><![if !msEquation]><span
    18831887style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    … …  
    18861890EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    18871891 type="#_x0000_t75" style='width:12pt;height:14.25pt'>
    1888  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image039.png"
     1892 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image033.png"
    18891893  o:title="" chromakey="white"/>
    18901894</v:shape><![endif]--><![if !vml]><img width=16 height=19
    1891 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image064.png"
     1895src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image034.png"
    18921896v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-1 (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
    18931897   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19011905EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19021906 type="#_x0000_t75" style='width:12pt;height:14.25pt'>
    1903  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image041.png"
     1907 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image035.png"
    19041908  o:title="" chromakey="white"/>
    19051909</v:shape><![endif]--><![if !vml]><img width=16 height=19
    1906 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image065.png"
     1910src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image036.png"
    19071911v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-q (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
    19081912   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19161920EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19171921 type="#_x0000_t75" style='width:12pt;height:15.75pt'>
    1918  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image043.png"
     1922 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image037.png"
    19191923  o:title="" chromakey="white"/>
    19201924</v:shape><![endif]--><![if !vml]><img width=16 height=21
    1921 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image066.png"
     1925src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image038.png"
    19221926v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-0 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    19231927   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19321936EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19331937 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
    1934  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image045.png"
     1938 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image039.png"
    19351939  o:title="" chromakey="white"/>
    19361940</v:shape><![endif]--><![if !vml]><img width=18 height=19
    1937 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image067.png"
     1941src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image040.png"
    19381942v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-1 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    19391943   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19481952EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19491953 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
    1950  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image047.png"
     1954 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image041.png"
    19511955  o:title="" chromakey="white"/>
    19521956</v:shape><![endif]--><![if !vml]><img width=18 height=19
    1953 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image068.png"
     1957src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image042.png"
    19541958v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-2 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    19551959   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19641968EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19651969 type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
    1966  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image049.png"
     1970 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image043.png"
    19671971  o:title="" chromakey="white"/>
    19681972</v:shape><![endif]--><![if !vml]><img width=18 height=19
    1969 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image069.png"
     1973src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image044.png"
    19701974v:shapes="_x0000_i1025"><![endif]></span><![endif]>) and sig-q (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    19711975   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    … …  
    19801984EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    19811985 type="#_x0000_t75" style='width:13.5pt;height:15.75pt'>
    1982  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image051.png"
     1986 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image045.png"
    19831987  o:title="" chromakey="white"/>
    19841988</v:shape><![endif]--><![if !vml]><img width=18 height=21
    1985 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image070.png"
     1989src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image046.png"
    19861990v:shapes="_x0000_i1025"><![endif]></span><![endif]>). Some of the values given
    19871991above are probably not appropriate; looking at the difference curve it appears
    … …  
    19992003 id="Picture_x0020_38" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:411pt;
    20002004 height:220.5pt;visibility:visible;mso-wrap-style:square'>
    2001  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
     2005 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image047.png"
    20022006  o:title=""/>
    20032007</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
    2004 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
     2008src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image047.png"
    20052009v:shapes="Picture_x0020_38"><![endif]></span></p>
    20062010
    … …  
    20162020 id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
    20172021 height:450pt;visibility:visible;mso-wrap-style:square'>
    2018  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
     2022 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image048.png"
    20192023  o:title=""/>
    20202024</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2021 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
     2025src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image048.png"
    20222026v:shapes="Picture_x0020_25"><![endif]></span></p>
    20232027
    … …  
    20282032to the refinement and then second add <b style='mso-bidi-font-weight:normal'><span
    20292033style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2030 mso-hansi-theme-font:minor-latin'>beta-1</span></b>. The two refinements improve
    2031 the fit (<span class=SpellE>Rwp</span>=6.23% after the 1<sup>st</sup> step and <span
    2032 class=SpellE>Rwp</span>=5.50% after the 2<sup>nd</sup>). The resulting coefficients
    2033 are</p>
     2034mso-hansi-theme-font:minor-latin'>beta-1</span></b>. The two refinements
     2035improve the fit (<span class=SpellE>Rwp</span>=6.23% after the 1<sup>st</sup>
     2036step and <span class=SpellE>Rwp</span>=5.50% after the 2<sup>nd</sup>). The
     2037resulting coefficients are</p>
    20342038
    20352039<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    20362040 id="Picture_x0020_39" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:411pt;
    20372041 height:220.5pt;visibility:visible;mso-wrap-style:square'>
    2038  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
     2042 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image049.png"
    20392043  o:title=""/>
    20402044</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
    2041 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
     2045src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image049.png"
    20422046v:shapes="Picture_x0020_39"><![endif]></span></p>
    20432047
    … …  
    20472051 id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
    20482052 height:450pt;visibility:visible;mso-wrap-style:square'>
    2049  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
     2053 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image050.png"
    20502054  o:title=""/>
    20512055</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2052 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
     2056src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image050.png"
    20532057v:shapes="Picture_x0020_27"><![endif]></span></p>
    20542058
    … …  
    20622066 id="Picture_x0020_28" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
    20632067 height:450pt;visibility:visible;mso-wrap-style:square'>
    2064  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
     2068 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image051.png"
    20652069  o:title=""/>
    20662070</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2067 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
     2071src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image051.png"
    20682072v:shapes="Picture_x0020_28"><![endif]></span></p>
    20692073
    … …  
    20732077 id="Picture_x0020_40" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:411pt;
    20742078 height:220.5pt;visibility:visible;mso-wrap-style:square'>
    2075  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image058.png"
     2079 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image052.png"
    20762080  o:title=""/>
    20772081</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
    2078 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image058.png"
     2082src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image052.png"
    20792083v:shapes="Picture_x0020_40"><![endif]></span></p>
    20802084
    … …  
    21032107 id="Picture_x0020_41" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:411pt;
    21042108 height:220.5pt;visibility:visible;mso-wrap-style:square'>
    2105  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image059.png"
     2109 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
    21062110  o:title=""/>
    21072111</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=294
    2108 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image059.png"
     2112src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image053.png"
    21092113v:shapes="Picture_x0020_41"><![endif]></span></p>
    21102114
    … …  
    21142118 id="Picture_x0020_31" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:525pt;
    21152119 height:450pt;visibility:visible;mso-wrap-style:square'>
    2116  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image060.png"
     2120 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
    21172121  o:title=""/>
    21182122</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2119 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image060.png"
     2123src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image054.png"
    21202124v:shapes="Picture_x0020_31"><![endif]></span></p>
    21212125
    … …  
    21602164 id="Picture_x0020_42" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
    21612165 height:450pt;visibility:visible;mso-wrap-style:square'>
    2162  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image061.png"
     2166 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
    21632167  o:title=""/>
    21642168</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2165 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image061.png"
     2169src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image055.png"
    21662170v:shapes="Picture_x0020_42"><![endif]></span></p>
    21672171
    … …  
    21772181 id="Picture_x0020_43" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
    21782182 height:450pt;visibility:visible;mso-wrap-style:square'>
    2179  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image062.png"
     2183 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
    21802184  o:title=""/>
    21812185</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2182 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image062.png"
     2186src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image056.png"
    21832187v:shapes="Picture_x0020_43"><![endif]></span></p>
    21842188
    … …  
    22022206 id="Picture_x0020_45" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:411pt;
    22032207 height:203.25pt;visibility:visible;mso-wrap-style:square'>
    2204  <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image063.png"
     2208 <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
    22052209  o:title=""/>
    22062210</v:shape><![endif]--><![if !vml]><img border=0 width=548 height=271
    2207 src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image063.png"
     2211src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image057.png"
    22082212v:shapes="Picture_x0020_45"><![endif]></span></p>
    22092213
    2210 <p class=MsoNormal>This removes from the instrument parameters any sample broadening
    2211 effects and thus the remaining parameters are only dependent on the instrument.
    2212 To make an instrument parameter file do <b style='mso-bidi-font-weight:normal'><span
    2213 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2214 mso-hansi-theme-font:minor-latin'>Operations/Save profile</span></b>; choose a
    2215 suitable name expressing the particular instrument configuration used in
    2216 collecting the calibration data. I named it <b style='mso-bidi-font-weight:
     2214<p class=MsoNormal>This removes from the instrument parameters any sample
     2215broadening effects and thus the remaining parameters are only dependent on the
     2216instrument. To make an instrument parameter file do <b style='mso-bidi-font-weight:
    22172217normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2218 minor-latin;mso-hansi-theme-font:minor-latin'>POWGEN_1066.instprm</span></b> (with
    2219 the default extension) to reflect the wavelength band used to collect it on
    2220 POWGEN. This completes this tutorial.</p>
     2218minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Save profile</span></b>;
     2219choose a suitable name expressing the particular instrument configuration used
     2220in collecting the calibration data. I named it <b style='mso-bidi-font-weight:
     2221normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2222minor-latin;mso-hansi-theme-font:minor-latin'>POWGEN_1066.instprm</span></b>
     2223(with the default extension) to reflect the wavelength band used to collect it
     2224on POWGEN. This completes this tutorial.</p>
    22212225
    22222226<p class=MsoNormal><o:p>&nbsp;</o:p></p>
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