Ignore:
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

File:
1 edited

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  • Tutorials/TOF-CW Joint Refinement/TOF combined XN Rietveld refinement in GSAS.htm

    r1702 r1745  
    2525  <o:Author>vondreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>9</o:Revision>
    28   <o:TotalTime>1099</o:TotalTime>
     27  <o:Revision>10</o:Revision>
     28  <o:TotalTime>1101</o:TotalTime>
    2929  <o:Created>2015-02-25T21:03:00Z</o:Created>
    30   <o:LastSaved>2015-03-14T14:59:00Z</o:LastSaved>
     30  <o:LastSaved>2015-03-20T13:43:00Z</o:LastSaved>
    3131  <o:Pages>1</o:Pages>
    32   <o:Words>2106</o:Words>
    33   <o:Characters>12007</o:Characters>
     32  <o:Words>2093</o:Words>
     33  <o:Characters>11933</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>100</o:Lines>
    36   <o:Paragraphs>28</o:Paragraphs>
    37   <o:CharactersWithSpaces>14085</o:CharactersWithSpaces>
     35  <o:Lines>99</o:Lines>
     36  <o:Paragraphs>27</o:Paragraphs>
     37  <o:CharactersWithSpaces>13999</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>
    … …  
    650651        {font-family:"Cambria Math";
    651652        panose-1:2 4 5 3 5 4 6 3 2 4;
    652         mso-font-charset:0;
     653        mso-font-charset:1;
    653654        mso-generic-font-family:roman;
     655        mso-font-format:other;
    654656        mso-font-pitch:variable;
    655         mso-font-signature:-536870145 1107305727 0 0 415 0;}
     657        mso-font-signature:0 0 0 0 0 0;}
    656658@font-face
    657659        {font-family:Calibri;
    … …  
    11651167<p class=MsoNormal>In these exercises you will use GSAS-II to refine the
    11661168structure of Na<sub>2</sub>Ca<sub>3</sub>Al<sub>2</sub>F<sub>14</sub> (NAC)
    1167 from powder diffraction data collected at both APS and at the SNS both at room temperature.
    1168 The data consists of one x-ray powder pattern collected on 11BM at
     1169from powder diffraction data collected at both APS and at the SNS both at room
     1170temperature. The data consists of one x-ray powder pattern collected on 11BM at
    11691171&#955;=0.413909Å and two neutron TOF patterns from different wavelength bands
    11701172(1.066Å and 2.066Å). The NAC sample has a minor (~10%) contamination from one
    11711173of the starting materials (CaF<sub>2</sub>). NAC gives a very sharp diffraction
    11721174pattern (sharper than SRM 660b) and thus can be used as a secondary standard
    1173 (cubic I2<sub>1</sub>3, a~10.25Å). If you have not done so already, <a
    1174 href="../TOF%20Single%20Crystal%20Refinement/Starting%20GSAS.htm">start GSAS-II</a>.</p>
     1175(cubic I2<sub>1</sub>3, a~10.25Å). If you have not done so already, start
     1176GSAS-II.</p>
    11751177
    11761178<h2>Step 1. Import the phases</h2>
    … …  
    11801182style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11811183mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Import/Phase/from
    1182 GSAS .EXP file</span></b> from the main GSAS-II data tree menu; a file dialog box
    1183 will appear. Find the file <span class=SpellE><b style='mso-bidi-font-weight:
     1184GSAS .EXP file</span></b> from the main GSAS-II data tree menu; a file dialog
     1185box will appear. Find the file <b style='mso-bidi-font-weight:normal'><span
     1186style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1187mso-hansi-theme-font:minor-latin'>exercises/TOF-CW Joint
     1188Refinement/NAC-2015A.EXP</span></b>, select it and press <b style='mso-bidi-font-weight:
    11841189normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1185 minor-latin;mso-hansi-theme-font:minor-latin'>GSASIIexercises</span></b></span><b
    1186 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1187 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>/TOF-CW
    1188 Joint Refinement/NAC-2015A.EXP</span></b>, select it and press <b
    1189 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1190 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>.
    1191 A popup window asking <b style='mso-bidi-font-weight:normal'><span
    1192 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1193 mso-hansi-theme-font:minor-latin'>Is this the file you want<span class=GramE>?<span
    1194 style='font-family:"Times New Roman",serif;font-weight:normal'>;</span></span></span></b>
    1195 it should obviously look like the right stuff so press <b style='mso-bidi-font-weight:
     1190minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>. A popup window
     1191asking <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1192mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Is this the
     1193file you want<span class=GramE>?<span style='font-family:"Times New Roman",serif;
     1194font-weight:normal'>;</span></span></span></b> it should obviously look like
     1195the right stuff so press <b style='mso-bidi-font-weight:normal'><span
     1196style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1197mso-hansi-theme-font:minor-latin'>Yes</span></b>. Select <b style='mso-bidi-font-weight:
    11961198normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1197 minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>. Select <b
    1198 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1199 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>NAC</span></b>
    1200 from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1199minor-latin;mso-hansi-theme-font:minor-latin'>NAC</span></b> from the <b
     1200style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    12011201mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Read phase
    12021202data</span></b> popup and use the name <b style='mso-bidi-font-weight:normal'><span
    … …  
    12341234 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image001.png"
    12351235  o:title=""/>
    1236 </v:shape><![endif]--><![if !vml]><img border=0 width=650 height=500
     1236</v:shape><![endif]--><![if !vml]><img width=650 height=500
    12371237src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image002.gif"
    12381238v:shapes="Picture_x0020_1"><![endif]></span></p>
    … …  
    12581258 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image003.png"
    12591259  o:title=""/>
    1260 </v:shape><![endif]--><![if !vml]><img border=0 width=650 height=500
     1260</v:shape><![endif]--><![if !vml]><img width=650 height=500
    12611261src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image004.gif"
    12621262v:shapes="Picture_x0020_2"><![endif]></span></p>
    … …  
    12711271 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image005.png"
    12721272  o:title=""/>
    1273 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
     1273</v:shape><![endif]--><![if !vml]><img width=700 height=300
    12741274src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image006.gif"
    12751275v:shapes="Picture_x0020_12"><![endif]></span></p>
    … …  
    12851285mso-hansi-theme-font:minor-latin'>Import/Powder Data/from GSAS powder data file
    12861286</span></b>from the main GSAS-II data tree menu. Again a file dialog box will
    1287 appear; select <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1288 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1289 mso-hansi-theme-font:minor-latin'>GSASIIexercises</span></b></span><b
    1290 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1291 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>/TOF-CW
    1292 Joint Refinement/11BM_NAC.fxye</span></b> and press <b style='mso-bidi-font-weight:
    1293 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1294 minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>. Press <b
    1295 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1287appear; select <b style='mso-bidi-font-weight:normal'><span style='font-family:
     1288"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1289minor-latin'>exercises/TOF-CW Joint Refinement/11BM_NAC.fxye</span></b> and
     1290press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1291mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>.
     1292Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    12961293mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>
    12971294on the <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    … …  
    13271324 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image007.png"
    13281325  o:title=""/>
    1329 </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260
     1326</v:shape><![endif]--><![if !vml]><img width=300 height=260
    13301327src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image008.gif"
    13311328v:shapes="Picture_x0020_4"><![endif]></span></p>
    … …  
    13481345 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image009.png"
    13491346  o:title=""/>
    1350 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1347</v:shape><![endif]--><![if !vml]><img width=700 height=600
    13511348src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image010.gif"
    13521349v:shapes="Picture_x0020_5"><![endif]></span></p>
    … …  
    13591356 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image011.png"
    13601357  o:title=""/>
    1361 </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260
     1358</v:shape><![endif]--><![if !vml]><img width=300 height=260
    13621359src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image012.gif"
    13631360v:shapes="Picture_x0020_6"><![endif]></span></p>
    … …  
    13781375 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image013.png"
    13791376  o:title=""/>
    1380 </v:shape><![endif]--><![if !vml]><img border=0 width=480 height=264
     1377</v:shape><![endif]--><![if !vml]><img width=480 height=264
    13811378src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image014.gif"
    13821379v:shapes="Picture_x0020_7"><![endif]></span></p>
    … …  
    13931390 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image015.png"
    13941391  o:title=""/>
    1395 </v:shape><![endif]--><![if !vml]><img border=0 width=776 height=584
     1392</v:shape><![endif]--><![if !vml]><img width=776 height=584
    13961393src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image016.gif"
    13971394v:shapes="Picture_x0020_8"><![endif]></span></p>
    … …  
    14111408 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image017.png"
    14121409  o:title=""/>
    1413 </v:shape><![endif]--><![if !vml]><img border=0 width=776 height=584
     1410</v:shape><![endif]--><![if !vml]><img width=776 height=584
    14141411src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image018.gif"
    14151412v:shapes="Picture_x0020_9"><![endif]></span></p>
    … …  
    14341431 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image019.png"
    14351432  o:title=""/>
    1436 </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260
     1433</v:shape><![endif]--><![if !vml]><img width=300 height=260
    14371434src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image020.gif"
    14381435v:shapes="Picture_x0020_10"><![endif]></span></p>
    … …  
    14491446 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image021.png"
    14501447  o:title=""/>
    1451 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1448</v:shape><![endif]--><![if !vml]><img width=700 height=600
    14521449src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image022.gif"
    14531450v:shapes="Picture_x0020_11"><![endif]></span></p>
    … …  
    15011498 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image023.png"
    15021499  o:title=""/>
    1503 </v:shape><![endif]--><![if !vml]><img border=0 width=441 height=205
     1500</v:shape><![endif]--><![if !vml]><img width=441 height=205
    15041501src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image024.gif"
    15051502v:shapes="Picture_x0020_21"><![endif]></span></p>
    … …  
    15221519 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image025.png"
    15231520  o:title=""/>
    1524 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1521</v:shape><![endif]--><![if !vml]><img width=700 height=600
    15251522src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image026.gif"
    15261523v:shapes="Picture_x0020_13"><![endif]></span></p>
    … …  
    15501547 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image027.png"
    15511548  o:title=""/>
    1552 </v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
     1549</v:shape><![endif]--><![if !vml]><img width=457 height=500
    15531550src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image028.gif"
    15541551v:shapes="Picture_x0020_32"><![endif]></span></p>
    … …  
    15711568it. Then select the <b style='mso-bidi-font-weight:normal'><span
    15721569style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1573 mso-hansi-theme-font:minor-latin'>Phase fraction</span></b> check box so it
    1574 will be refined. We want these values and refinement flags to be used for the
    1575 two neutron TOF patterns as well. Press the <b style='mso-bidi-font-weight:
     1570mso-hansi-theme-font:minor-latin'>Phase fraction</span></b> check box so it will
     1571be refined. We want these values and refinement flags to be used for the two
     1572neutron TOF patterns as well. Press the <b style='mso-bidi-font-weight:normal'><span
     1573style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1574mso-hansi-theme-font:minor-latin'>Copy?</span></b> <span class=GramE>button</span>;
     1575a popup box will allow you to select the data sets to be copied to. <b
     1576style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1577mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Set <span
     1578class=GramE>All</span></span></b> of them and press <b style='mso-bidi-font-weight:
    15761579normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1577 minor-latin;mso-hansi-theme-font:minor-latin'>Copy?</span></b> <span
    1578 class=GramE>button</span>; a popup box will allow you to select the data sets
    1579 to be copied to. <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1580 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1581 minor-latin'>Set <span class=GramE>All</span></span></b> of them and press <b
    1582 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1583 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
    1584 this will copy the values and refinement flags to the other two histograms.</p>
     1580minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; this will copy the
     1581values and refinement flags to the other two histograms.</p>
    15851582
    15861583<p class=MsoNormal>Now select the <span style='font-family:"Calibri",sans-serif;
    … …  
    16161613 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image029.png"
    16171614  o:title=""/>
    1618 </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=470
     1615</v:shape><![endif]--><![if !vml]><img width=300 height=470
    16191616src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image030.gif"
    16201617v:shapes="Picture_x0020_16"><![endif]></span></p>
    … …  
    16361633 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image031.png"
    16371634  o:title=""/>
    1638 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=400
     1635</v:shape><![endif]--><![if !vml]><img width=625 height=400
    16391636src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image032.gif"
    16401637v:shapes="Picture_x0020_17"><![endif]></span></p>
    … …  
    16591656 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image033.png"
    16601657  o:title=""/>
    1661 </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=400
     1658</v:shape><![endif]--><![if !vml]><img width=625 height=400
    16621659src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image034.gif"
    16631660v:shapes="Picture_x0020_18"><![endif]></span><span
    … …  
    16791676 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image035.png"
    16801677  o:title=""/>
    1681 </v:shape><![endif]--><![if !vml]><img border=0 width=405 height=470
     1678</v:shape><![endif]--><![if !vml]><img width=405 height=470
    16821679src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image036.gif"
    16831680v:shapes="Picture_x0020_19"><![endif]></span></p>
    … …  
    17061703 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image037.png"
    17071704  o:title=""/>
    1708 </v:shape><![endif]--><![if !vml]><img border=0 width=405 height=470
     1705</v:shape><![endif]--><![if !vml]><img width=405 height=470
    17091706src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image038.gif"
    17101707v:shapes="Picture_x0020_20"><![endif]></span></p>
    … …  
    17391736 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image039.png"
    17401737  o:title=""/>
    1741 </v:shape><![endif]--><![if !vml]><img border=0 width=559 height=222
     1738</v:shape><![endif]--><![if !vml]><img width=559 height=222
    17421739src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image040.gif"
    17431740v:shapes="Picture_x0020_22"><![endif]></span><span
    … …  
    17561753 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image041.png"
    17571754  o:title=""/>
    1758 </v:shape><![endif]--><![if !vml]><img border=0 width=312 height=510
     1755</v:shape><![endif]--><![if !vml]><img width=312 height=510
    17591756src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image042.gif"
    17601757v:shapes="Picture_x0020_23"><![endif]></span><span
    … …  
    18111808 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image043.png"
    18121809  o:title=""/>
    1813 </v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
     1810</v:shape><![endif]--><![if !vml]><img width=457 height=500
    18141811src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image044.gif"
    18151812v:shapes="Picture_x0020_33"><![endif]></span></p>
    … …  
    18221819 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image045.png"
    18231820  o:title=""/>
    1824 </v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
     1821</v:shape><![endif]--><![if !vml]><img width=457 height=500
    18251822src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image046.gif"
    18261823v:shapes="Picture_x0020_34"><![endif]></span></p>
    … …  
    18351832
    18361833<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1837  id="_x0000_i1031" type="#_x0000_t75" style='width:807.75pt;height:170.25pt;
    1838  visibility:visible;mso-wrap-style:square'>
     1834 id="Picture_x0020_24" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:807.75pt;
     1835 height:170.25pt;visibility:visible;mso-wrap-style:square'>
    18391836 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image047.png"
    18401837  o:title=""/>
    1841 </v:shape><![endif]--><![if !vml]><img border=0 width=1077 height=227
     1838</v:shape><![endif]--><![if !vml]><img width=1077 height=227
    18421839src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image048.gif"
    1843 v:shapes="_x0000_i1031"><![endif]></span></p>
    1844 
    1845 <p class=MsoNormal>Notice that the Chi**2 (&#967;<sup>2</sup>) value has
    1846 essentially leveled out and the Delta is close to zero for the last cycle.
    1847 Delta is &#916;&#967;<sup>2</sup>/ &#967;<sup>2</sup>. Lambda is the <span
    1848 class=SpellE>Levenberg</span>-Marquardt &#955; value; an indication of the
    1849 damping used in the least squares. Here some damping was needed (minimum
    1850 &#955;=10<sup>-5</sup>). Look at the Covariance matrix (item in tree).</p>
     1840v:shapes="Picture_x0020_24"><![endif]></span></p>
     1841
     1842<p class=MsoNormal>Notice that the Chi**2 (&#967;<sup>2</sup>) value has essentially
     1843leveled out and the Delta is close to zero for the last cycle. Delta is
     1844&#916;&#967;<sup>2</sup>/ &#967;<sup>2</sup>. Lambda is the <span class=SpellE>Levenberg</span>-Marquardt
     1845&#955; value; an indication of the damping used in the least squares. Here some
     1846damping was needed (minimum &#955;=10<sup>-5</sup>). Look at the Covariance
     1847matrix (item in tree).</p>
    18511848
    18521849<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    … …  
    18551852 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image049.png"
    18561853  o:title=""/>
    1857 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1854</v:shape><![endif]--><![if !vml]><img width=700 height=600
    18581855src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image050.gif"
    18591856v:shapes="Picture_x0020_26"><![endif]></span></p>
    … …  
    18721869 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image051.png"
    18731870  o:title=""/>
    1874 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1871</v:shape><![endif]--><![if !vml]><img width=700 height=600
    18751872src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image052.gif"
    18761873v:shapes="Picture_x0020_27"><![endif]></span></p>
    … …  
    19081905 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image053.png"
    19091906  o:title=""/>
    1910 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
     1907</v:shape><![endif]--><![if !vml]><img width=700 height=600
    19111908src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image054.gif"
    19121909v:shapes="Picture_x0020_28"><![endif]></span></p>
    … …  
    19281925 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image005.png"
    19291926  o:title=""/>
    1930 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
     1927</v:shape><![endif]--><![if !vml]><img width=700 height=300
    19311928src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image006.gif"
    19321929v:shapes="Picture_x0020_29"><![endif]></span></p>
    … …  
    19421939 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image055.png"
    19431940  o:title=""/>
    1944 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
     1941</v:shape><![endif]--><![if !vml]><img width=346 height=336
    19451942src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image056.gif"
    19461943v:shapes="Picture_x0020_30"><![endif]></span></p>
    … …  
    19551952mso-hansi-theme-font:minor-latin'>OK</span></b>.<span
    19561953style='mso-spacerun:yes'>  </span>Do not be concerned about atoms on special
    1957 positions, GSAS-II will determine the refinement rules for these. The Atoms window
    1958 will show the selected flags.</p>
     1954positions, GSAS-II will determine the refinement rules for these. The Atoms
     1955window will show the selected flags.</p>
    19591956
    19601957<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    … …  
    19631960 <v:imagedata src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image057.png"
    19641961  o:title=""/>
    1965 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
     1962</v:shape><![endif]--><![if !vml]><img width=700 height=300
    19661963src="TOF%20combined%20XN%20Rietveld%20refinement%20in%20GSAS_files/image058.gif"
    19671964v:shapes="Picture_x0020_31"><![endif]></span></p>
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