Changeset 486 for trunk/help/gsasII.html
- Timestamp:
- Feb 17, 2012 2:59:59 PM (11 years ago)
- File:
-
- 1 edited
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trunk/help/gsasII.html
r460 r486 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision> 28</o:Revision>28 <o:TotalTime> 1786</o:TotalTime>27 <o:Revision>40</o:Revision> 28 <o:TotalTime>2050</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-0 1-31T21:14:00Z</o:LastSaved>30 <o:LastSaved>2012-02-17T20:15:00Z</o:LastSaved> 31 31 <o:Pages>6</o:Pages> 32 <o:Words> 3855</o:Words>33 <o:Characters>2 1980</o:Characters>32 <o:Words>4349</o:Words> 33 <o:Characters>24791</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines> 183</o:Lines>36 <o:Paragraphs>5 1</o:Paragraphs>37 <o:CharactersWithSpaces>2 5784</o:CharactersWithSpaces>35 <o:Lines>206</o:Lines> 36 <o:Paragraphs>58</o:Paragraphs> 37 <o:CharactersWithSpaces>29082</o:CharactersWithSpaces> 38 38 <o:Version>12.00</o:Version> 39 39 </o:DocumentProperties> 40 40 </xml><![endif]--> 41 <link rel=dataStoreItem href="gsasII_files/item000 6.xml"42 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67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1125 @list l1 2:level11313 @list l15:level1 1126 1314 {mso-level-number-format:alpha-lower; 1127 1315 mso-level-tab-stop:none; … … 1130 1318 text-indent:-.25in; 1131 1319 mso-ansi-font-weight:normal;} 1132 @list l13 1320 @list l15:level2 1321 {mso-level-tab-stop:1.0in; 1322 mso-level-number-position:left; 1323 text-indent:-.25in;} 1324 @list l15:level3 1325 {mso-level-tab-stop:1.5in; 1326 mso-level-number-position:left; 1327 text-indent:-.25in;} 1328 @list l15:level4 1329 {mso-level-tab-stop:2.0in; 1330 mso-level-number-position:left; 1331 text-indent:-.25in;} 1332 @list l15:level5 1333 {mso-level-tab-stop:2.5in; 1334 mso-level-number-position:left; 1335 text-indent:-.25in;} 1336 @list l15:level6 1337 {mso-level-tab-stop:3.0in; 1338 mso-level-number-position:left; 1339 text-indent:-.25in;} 1340 @list l15:level7 1341 {mso-level-tab-stop:3.5in; 1342 mso-level-number-position:left; 1343 text-indent:-.25in;} 1344 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text-indent:-.25in;} 1491 @list l19:level4 1492 {mso-level-tab-stop:2.0in; 1493 mso-level-number-position:left; 1494 text-indent:-.25in;} 1495 @list l19:level5 1496 {mso-level-tab-stop:2.5in; 1497 mso-level-number-position:left; 1498 text-indent:-.25in;} 1499 @list l19:level6 1500 {mso-level-tab-stop:3.0in; 1501 mso-level-number-position:left; 1502 text-indent:-.25in;} 1503 @list l19:level7 1504 {mso-level-tab-stop:3.5in; 1505 mso-level-number-position:left; 1506 text-indent:-.25in;} 1507 @list l19:level8 1508 {mso-level-tab-stop:4.0in; 1509 mso-level-number-position:left; 1510 text-indent:-.25in;} 1511 @list l19:level9 1512 {mso-level-tab-stop:4.5in; 1513 mso-level-number-position:left; 1514 text-indent:-.25in;} 1515 @list l20 1516 {mso-list-id:2096583681; 1186 1517 mso-list-type:hybrid; 1187 mso-list-template-ids: 176320334 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1188 @list l 15:level11518 mso-list-template-ids:-393712734 67698703 67698713 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{mso-level-tab-stop:3.5in;1254 mso-level-number-position:left;1255 text-indent:-.25in;}1256 @list l16:level81257 {mso-level-tab-stop:4.0in;1258 mso-level-number-position:left;1259 text-indent:-.25in;}1260 @list l16:level91261 {mso-level-tab-stop:4.5in;1262 1521 mso-level-number-position:left; 1263 1522 text-indent:-.25in;} … … 1289 1548 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1290 1549 <!--[if gte mso 9]><xml> 1291 <o:shapedefaults v:ext="edit" spidmax=" 9218"/>1550 <o:shapedefaults v:ext="edit" spidmax="10242"/> 1292 1551 </xml><![endif]--><!--[if gte mso 9]><xml> 1293 1552 <o:shapelayout v:ext="edit"> … … 1320 1579 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1321 1580 <o:lock v:ext="edit" aspectratio="t"/> 1322 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s103 8" type="#_x0000_t75"1581 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1039" type="#_x0000_t75" 1323 1582 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1324 1583 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; … … 1366 1625 such as the sample temperature <a href="#Sample_Parameters">(see below)</a>. <o:p></o:p></span></p> 1367 1626 1368 <h 5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>1627 <h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4> 1369 1628 1370 1629 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The … … 1372 1631 as outlined below: <o:p></o:p></span></p> 1373 1632 1374 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 6level1 lfo1'><![if !supportLists]><span1633 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1375 1634 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1376 1635 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 1377 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – </p>1378 1379 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1380 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1636 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – </p> 1637 1638 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1639 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1381 1640 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1382 1641 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1391 1650 1392 1651 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1393 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1652 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1394 1653 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1395 1654 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1403 1662 1404 1663 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1405 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1664 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1406 1665 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1407 1666 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1413 1672 1414 1673 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1415 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1674 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1416 1675 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1417 1676 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1422 1681 1423 1682 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1424 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1683 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1425 1684 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1426 1685 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1431 1690 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1432 1691 1433 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo1'><![if !supportLists]><span1692 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1434 1693 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1435 1694 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1437 1696 1438 1697 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1439 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1698 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1440 1699 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1441 1700 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1451 1710 1452 1711 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1453 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1712 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1454 1713 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1455 1714 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1464 1723 1465 1724 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1466 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1725 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1467 1726 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1468 1727 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1473 1732 1474 1733 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1475 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1734 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1476 1735 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1477 1736 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1479 1738 1480 1739 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1481 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1740 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1482 1741 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1483 1742 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1485 1744 1486 1745 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1487 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1746 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1488 1747 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1489 1748 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1491 1750 1492 1751 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1493 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1752 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1494 1753 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 1495 1754 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1497 1756 1498 1757 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1499 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1758 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1500 1759 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 1501 1760 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1503 1762 1504 1763 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1505 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1764 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1506 1765 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 1507 1766 style='font:7.0pt "Times New Roman"'> … … 1510 1769 1511 1770 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1512 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1771 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1513 1772 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 1514 1773 style='font:7.0pt "Times New Roman"'> … … 1516 1775 data</b> - </p> 1517 1776 1518 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo1'><![if !supportLists]><span1777 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1519 1778 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1520 1779 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1522 1781 1523 1782 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1524 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1783 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1525 1784 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1526 1785 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1528 1787 1529 1788 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1530 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1789 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1531 1790 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1532 1791 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1535 1794 1536 1795 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1537 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1796 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1538 1797 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1539 1798 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1541 1800 1542 1801 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1543 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1802 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1544 1803 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1545 1804 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1547 1806 1548 1807 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1549 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1808 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1550 1809 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1551 1810 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1552 1811 style='mso-bidi-font-weight:normal'>Solve</b> - </p> 1553 1812 1554 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo1'><![if !supportLists]><span1813 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1555 1814 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1556 1815 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1558 1817 1559 1818 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1560 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1819 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1561 1820 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1562 1821 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1563 style='mso-bidi-font-weight:normal'>Import GSAS Exp phase…</b> - </p>1564 1565 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1566 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1822 style='mso-bidi-font-weight:normal'>Import Phase (generic)…</b> - </p> 1823 1824 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1825 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1567 1826 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1568 1827 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1569 style='mso-bidi-font-weight:normal'>Import PDB phase…</b> - </p> 1570 1571 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1572 auto;text-indent:-.25in;mso-list:l6 level2 lfo1'><![if !supportLists]><span 1828 style='mso-bidi-font-weight:normal'>Import Phase (specific)</b></p> 1829 1830 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1831 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1832 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1833 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1834 style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP…</b></p> 1835 1836 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1837 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1838 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1839 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1840 style='mso-bidi-font-weight:normal'>Import Phase PDB…</b></p> 1841 1842 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1843 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1844 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1845 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1846 style='mso-bidi-font-weight:normal'>Import Phase CIF…</b></p> 1847 1848 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1849 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1850 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1851 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1852 style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>…</b></p> 1853 1854 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1855 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1573 1856 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1574 1857 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1575 style='mso-bidi-font-weight:normal'>Import CIF phase…</b> - </p>1576 1577 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1578 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1858 style='mso-bidi-font-weight:normal'>Import Powder Pattern…</b> - </p> 1859 1860 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1861 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1579 1862 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1580 1863 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1581 1864 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 1582 1865 1583 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo1'><![if !supportLists]><span1866 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1584 1867 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 1585 1868 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1587 1870 1588 1871 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1589 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1872 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1590 1873 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1591 1874 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1593 1876 1594 1877 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1595 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1878 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1596 1879 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1597 1880 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1599 1882 1600 1883 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1601 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1884 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1602 1885 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1603 1886 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1605 1888 1606 1889 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1607 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1890 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1608 1891 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1609 1892 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1611 1894 1612 1895 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1613 auto;text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1896 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1614 1897 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1615 1898 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1617 1900 1618 1901 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 1619 text-indent:-.25in;mso-list:l 6level2 lfo1'><![if !supportLists]><span1902 text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1620 1903 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1621 1904 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1683 1966 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 1684 1967 1685 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span1968 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 1686 1969 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1687 1970 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1695 1978 Hessian’ for routine work.<o:p></o:p></span></p> 1696 1979 1697 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span1980 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 1698 1981 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1699 1982 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 1700 1983 style='mso-fareast-font-family:"Times New Roman"'>Select ‘Min 1701 delta-M/M’ for convergence; the refinement will stop when the change in 1702 the minimization function is less than this value. Set Min delta-M/M = 1.0 to 1703 force just a single cycle to be performed. A value less than 10<sup>-4</sup> 1704 (thedefault) generally gives no better result. The allowed range is 10<sup>-9</sup>1984 delta-M/M’ for convergence; the refinement will stop when the change in the 1985 minimization function is less than this value. Set Min delta-M/M = 1.0 to force 1986 just a single cycle to be performed. A value less than 10<sup>-4</sup> (the 1987 default) generally gives no better result. The allowed range is 10<sup>-9</sup> 1705 1988 to 1.0.<o:p></o:p></span></p> 1706 1989 1707 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span1990 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 1708 1991 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1709 1992 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1717 2000 performance.<o:p></o:p></span></p> 1718 2001 1719 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2002 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 1720 2003 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1721 2004 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 1722 2005 style='mso-fareast-font-family:"Times New Roman"'>If ‘analytic 1723 2006 Hessian’ is chosen then select ‘Max cycles’, the maximum 1724 number of least squares cycles to be performed. Choices are given in the pull 1725 down selection; the default is 3 cycles.<o:p></o:p></span></p> 1726 1727 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 2007 number of least squares cycles to be performed. Least squares cycles are 2008 determined by the number of times a new Hessian matrix is computes; the <span 2009 class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function 2010 several times between cycles as it finds the optimal value of the Marquardt 2011 coefficient. Choices are given in the pull down selection; the default is 3 2012 cycles.<o:p></o:p></span></p> 2013 2014 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 1728 2015 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 1729 2016 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1731 2018 refinement; the data sets may be done in ‘reverse order’. <o:p></o:p></span></p> 1732 2019 1733 <h4> <span style='mso-fareast-font-family:"Times New Roman"'>Covariance<o:p></o:p></span></h4>2020 <h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 1734 2021 1735 2022 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This … … 1756 2043 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 1757 2044 1758 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 3level1 lfo3'><![if !supportLists]><span2045 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo3'><![if !supportLists]><span 1759 2046 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1760 2047 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1763 2050 the ‘Edit menu.<o:p></o:p></span></p> 1764 2051 1765 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo3'><![if !supportLists]><span2052 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo3'><![if !supportLists]><span 1766 2053 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1767 2054 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1770 2057 1771 2058 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1772 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2059 auto;text-indent:-.25in;mso-list:l16 level2 lfo3'><![if !supportLists]><span 1773 2060 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1774 2061 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1788 2075 1789 2076 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1790 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2077 auto;text-indent:-.25in;mso-list:l16 level2 lfo3'><![if !supportLists]><span 1791 2078 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1792 2079 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1807 2094 1808 2095 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1809 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2096 auto;text-indent:-.25in;mso-list:l16 level2 lfo3'><![if !supportLists]><span 1810 2097 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1811 2098 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1825 2112 1826 2113 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 1827 text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2114 text-indent:-.25in;mso-list:l16 level2 lfo3'><![if !supportLists]><span 1828 2115 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1829 2116 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1844 2131 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 1845 2132 1846 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span1847 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span1848 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span1849 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b1850 style='mso-bidi-font-weight:normal'>File</b>’ – <b1851 style='mso-bidi-font-weight:normal'>Copy</b> - this copies the limits shown to1852 other selected powder patterns. If used, a dialog box (Copy Limits) will appear1853 showing the list of available powder patterns, you can copy the limits to any1854 or all of them; select ‘All’ to copy them to all patterns. Then1855 select ‘OK’ to do the copy; ‘Cancel’ to cancel the1856 operation.<o:p></o:p></span></p>1857 1858 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span1859 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span1860 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span1861 style='mso-fareast-font-family:"Times New Roman"'>You can change <span1862 class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the1863 ‘changed’ row as needed. Use the mouse to select the value to be1864 changed (the background on the box will be blue or have a black border or a1865 vertical bar will appear in the value), then enter the new value and press1866 Enter or click the mouse elsewhere in the Background window. This will set the1867 new value.<o:p></o:p></span></p>1868 1869 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture Control1870 Window<o:p></o:p></span></h4>1871 1872 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1873 window... <o:p></o:p></span></p>1874 1875 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Image Masks<o:p></o:p></span></h4>1876 1877 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1878 window... <o:p></o:p></span></p>1879 1880 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Atoms Control1881 Window<o:p></o:p></span></h4>1882 1883 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1884 window... <o:p></o:p></span></p>1885 1886 <h3><span style='mso-fareast-font-family:"Times New Roman"'>Diffraction Data1887 Control Window<o:p></o:p></span></h3>1888 1889 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1890 window... <o:p></o:p></span></p>1891 1892 <h3><span style='mso-fareast-font-family:"Times New Roman"'>Draw Atoms Control1893 Window<o:p></o:p></span></h3>1894 1895 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1896 window... <o:p></o:p></span></p>1897 1898 <h3><span style='mso-fareast-font-family:"Times New Roman"'>Pawley Control1899 Window<o:p></o:p></span></h3>1900 1901 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1902 window... <o:p></o:p></span></p>1903 1904 <h3><a name=Images><span style='mso-fareast-font-family:"Times New Roman"'>Images1905 Control<o:p></o:p></span></a></h3>1906 1907 <span style='mso-bookmark:Images'></span>1908 1909 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1910 window... <o:p></o:p></span></p>1911 1912 <h3><span style='mso-fareast-font-family:"Times New Roman"'>PDF Controls1913 Control Window<o:p></o:p></span></h3>1914 1915 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This1916 window... <o:p></o:p></span></p>1917 1918 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p>1919 1920 2133 <h3>Phase Windows</h3> 1921 2134 1922 2135 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When 1923 2136 a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are 1924 shown for that selected phase in a tabbed window. Clicking on thetab raises2137 shown for that selected phase in a tabbed window. Clicking on each tab raises 1925 2138 the windows listed below. Each tab is identified by the underlined phrase in 1926 2139 the following:<o:p></o:p></span></p> 1927 2140 1928 <h4><a name=General><u>General</u> Phase Parameters</a></h4> 2141 <h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u> 2142 Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4> 1929 2143 1930 2144 <span style='mso-bookmark:General'></span> … … 1933 2147 gives overall parameters describing the phase such as the name, space group, 1934 2148 the unit cell parameters and overall parameters for the atom present in the 1935 phase. <a name=Data><o:p></o:p></a></span></p> 1936 1937 <h4><span style='mso-bookmark:Data'>Sample <u>Data</u></span></h4> 2149 phase. <a name=Data>It also has the controls for computing Fourier maps for 2150 this phase.<o:p></o:p></a></span></p> 2151 2152 <h5><span style='mso-bookmark:Data'><span style='mso-fareast-font-family:"Times New Roman"'>What 2153 can I do here?<o:p></o:p></span></span></h5> 2154 2155 <h4><span style='mso-bookmark:Data'><u><span style='mso-fareast-font-family: 2156 "Times New Roman"'>Data<o:p></o:p></span></u></span></h4> 1938 2157 1939 2158 <span style='mso-bookmark:Data'></span> 1940 2159 1941 <h4><a name=Texture><u>Texture</u> Parameters</a></h4> 1942 1943 <h4><span style='mso-bookmark:Texture'><a name=Atoms><u>Atom</u> Parameter<u>s</u></a></span></h4> 2160 <h5><a name=Texture></a><a name=Atoms><span style='mso-bookmark:Texture'><span 2161 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></a></h5> 2162 2163 <h4><span style='mso-bookmark:Atoms'><span style='mso-bookmark:Texture'><u>Atom</u> 2164 Parameter<u>s</u></span></span></h4> 1944 2165 1945 2166 <span style='mso-bookmark:Atoms'></span> 1946 2167 1947 <h4><span style='mso-bookmark:Texture'><a name="Draw_Options"><u>Draw Options</u></a></span></h4> 2168 <h5><span style='mso-bookmark:Texture'><a name="Draw_Options"><span 2169 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2170 2171 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><u>Texture</u> 2172 Parameters</span></span></h4> 2173 2174 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><span 2175 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></span></h5> 2176 2177 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><u>Draw 2178 Options</u></span></span></h4> 1948 2179 1949 2180 <span style='mso-bookmark:Draw_Options'></span> 1950 2181 1951 <h4><span style='mso-bookmark:Texture'><a name="Draw_Atoms"><u>Draw Atoms<o:p></o:p></u></a></span></h4> 2182 <h5><span style='mso-bookmark:Texture'><a name="Draw_Atoms"><span 2183 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2184 2185 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><u>Draw 2186 Atoms<o:p></o:p></u></span></span></h4> 1952 2187 1953 2188 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: … … 1962 2197 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></span></h5> 1963 2198 1964 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 5level1 lfo5'><span2199 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 1965 2200 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 1966 2201 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span … … 1974 2209 deselect all atoms.</span></span></p> 1975 2210 1976 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5level1 lfo5'><span2211 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 1977 2212 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 1978 2213 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1979 2214 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom 1980 Selection from plot: select an atom by a left click of the mouse when pointed 1981 at the center of the displayed atom, it will turn green if successful and the 1982 corresponding entry in the table will be highlighted (in grey); any previous 1983 selections will be cleared. To add to .your selection use the right mouse 1984 button; if a previously selection is reselected it is removed from the 1985 selection list. <b style='mso-bidi-font-weight:normal'>NB</b>: beware of atoms 1986 that are hiding behind the one you are trying to select, they may be selected inadvertently. 1987 You can rotate the structure anytime during the selection process.</span></span></p> 1988 1989 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo5'><span 2215 Selection from plot: select an atom by a left click of the mouse while holding 2216 down the Shift key and pointed at the center of the displayed atom, it will 2217 turn green if successful and the corresponding entry in the table will be 2218 highlighted (in grey); any previous selections will be cleared. To add to .your 2219 selection use the right mouse button (Shift down); if a previously selection is 2220 reselected it is removed from the selection list. <b style='mso-bidi-font-weight: 2221 normal'>NB</b>: beware of atoms that are hiding behind the one you are trying 2222 to select, they may be selected inadvertently. You can rotate the structure 2223 anytime during the selection process.</span></span></p> 2224 2225 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 1990 2226 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 1991 2227 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span … … 1996 2232 those atoms to be selected.</span></span></p> 1997 2233 1998 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5level1 lfo5'><span2234 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 1999 2235 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2000 2236 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span … … 2009 2245 aren’t rendered and thus the plot will not show any atoms or bonds!</span></span></p> 2010 2246 2011 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5level1 lfo5'><span2247 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2012 2248 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2013 2249 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span … … 2018 2254 2019 2255 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2020 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2256 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2021 2257 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2022 2258 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span … … 2026 2262 2027 2263 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2028 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2264 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2029 2265 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2030 2266 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2031 2267 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2032 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to 2033 be shown as a label for each atom in selection. The choices are: none, type, 2034 nameor number.</span></span></p>2035 2036 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2037 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2268 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be 2269 shown as a label for each atom in selection. The choices are: none, type, name 2270 or number.</span></span></p> 2271 2272 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2273 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2038 2274 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2039 2275 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span … … 2046 2282 2047 2283 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2048 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2284 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2049 2285 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2050 2286 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span … … 2054 2290 2055 2291 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2056 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2292 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2057 2293 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2058 2294 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span … … 2062 2298 2063 2299 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2064 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2300 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2065 2301 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2066 2302 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span … … 2073 2309 2074 2310 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2075 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2311 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2076 2312 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2077 2313 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 2078 2314 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2079 2315 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a 2080 symmetry operator and unit cell translation to the set of selected atoms; they 2081 willbe changed in place. Any anisotropic thermal displacement parameters (<span2316 symmetry operator and unit cell translation to the set of selected atoms; they will 2317 be changed in place. Any anisotropic thermal displacement parameters (<span 2082 2318 class=SpellE>Uij</span>) will be transformed as appropriate.</span></span></p> 2083 2319 2084 2320 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2085 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2321 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2086 2322 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2087 2323 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span … … 2093 2329 2094 2330 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2095 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2331 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2096 2332 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2097 2333 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 2098 2334 style='font:7.0pt "Times New Roman"'> 2099 2335 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit 2100 cell</b> - using the atoms currently in the draw atom table, find all atoms2101 that fall inside or on the edge/surface/corners of the unit cell. This 2102 operation is frequently performed before Fill CN-sphere.</span></span></p>2103 2104 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2105 auto;text-indent:-.25in;mso-list:l1 0 level1 lfo14'><span style='mso-bookmark:2336 cell</b> - using the atoms currently selected from the draw atom table, find 2337 all atoms that fall inside or on the edge/surface/corners of the unit cell. 2338 This operation is frequently performed before Fill CN-sphere.</span></span></p> 2339 2340 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2341 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2106 2342 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2107 2343 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span … … 2112 2348 table, e.g. by a structure refinement.</span></span></p> 2113 2349 2114 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5level1 lfo5'><span2350 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2115 2351 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2116 2352 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span … … 2118 2354 ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute 2119 2355 menu gives a choice of geometric calculations to be performed with the selected 2120 atoms. You must select the appropriate number of atoms for these to work.</span></span></p> 2121 2122 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2123 auto;text-indent:-.25in;mso-list:l9 level1 lfo16'><span style='mso-bookmark: 2356 atoms. You must select the appropriate number of atoms for these to work and the 2357 computation is done for the atoms in selection order.</span></span></p> 2358 2359 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2360 auto;text-indent:-.25in;mso-list:l11 level1 lfo7'><span style='mso-bookmark: 2124 2361 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2125 2362 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2126 2363 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2127 style='mso-bidi-font-weight:normal'>Distance Angles</b> – not developed 2128 yet…</span></span></p> 2129 2130 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2131 auto;text-indent:-.25in;mso-list:l9 level1 lfo16'><span style='mso-bookmark: 2132 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2133 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2134 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2135 style='mso-bidi-font-weight:normal'>Torsion angle</b> – when 4 atoms are 2136 selected, a torsion angle will be found for them. The atoms in the selection 2137 are then reordered so that the A1-A4 distance is longest with the other two in 2138 distance order between; the torsion angle is a right hand angle about the A2-A3 2139 vector for the sequence of atoms A1-A2-A3-A4. An estimated standard deviation 2140 is given for the torsion angle if a current variance-covariance matrix is 2141 available. The result is shown on the console window; it may be cut & 2142 pasted to another application (e.g. Microsoft Word).</span></span></p> 2364 style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b 2365 style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight: 2366 normal'>. </b>– <span class=GramE>when</span> 2-4 atoms are selected, a distance, 2367 angle or torsion angle will be found for them. The angles are computed for the 2368 atoms in their selection order. The torsion angle is a right hand angle about 2369 the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An estimated standard 2370 deviation is given for the calculated value if a current variance-covariance 2371 matrix is available. The result is shown on the console window; it may be cut 2372 & pasted to another application (e.g. Microsoft Word).</span></span></p> 2143 2373 2144 2374 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2145 text-indent:-.25in;mso-list:l 9 level1 lfo16'><span style='mso-bookmark:Texture'><span2375 text-indent:-.25in;mso-list:l11 level1 lfo7'><span style='mso-bookmark:Texture'><span 2146 2376 style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span style='mso-fareast-font-family: 2147 "Times New Roman"'><span style='mso-list:Ignore'> c.<span style='font:7.0pt "Times New Roman"'> 2377 "Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'> 2148 2378 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Best 2149 plane</b> – when 3or more atoms are selected, a best plane is determined2379 plane</b> – when 4 or more atoms are selected, a best plane is determined 2150 2380 for them. The result is shown on the console window; it may be cut & pasted 2151 2381 to another application (e.g. Microsoft Word). Shown are the atom coordinates … … 2155 2385 displacements along each axis for the best plane are also listed. The Z-axis 2156 2386 RMS value indicates the flatness of the proposed plane. <b style='mso-bidi-font-weight: 2157 normal'>NB</b>: if you select e.g. allatoms then Best plane will give2387 normal'>NB</b>: if you select (e.g. all) atoms then Best plane will give 2158 2388 Cartesian coordinates for these atoms with respect to a coordinate system where 2159 2389 the X-axis is along the longest axis of the atom grouping and the Z-axis is … … 2161 2391 center of the selected atoms.</span></span></p> 2162 2392 2393 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><a 2394 name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></span></span></h4> 2395 2396 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2397 Draw_Atoms'>This gives the list of reflections used in a Pawley refinement and 2398 can only be seen if the phase type is ‘Pawley’ (see<span 2399 style='color:#00B0F0'> </span></span></span><a href="#General"><span 2400 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>General</span></span><span 2401 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'></span></span></a><span 2402 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>)<span 2403 style='color:#00B0F0'>.</span></span></span></p> 2404 2405 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>What 2406 can I do here?</span></span></h5> 2407 2408 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2409 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2410 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2411 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 2412 <b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</span></span></p> 2413 2414 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2415 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2416 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2417 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2418 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2419 style='mso-bidi-font-weight:normal'>Pawley create</b> – this creates a 2420 new set of Pawley reflections, over writing any preexisting Pawley set. They 2421 are generated with d-<span class=SpellE>spacings</span> larger than the limit 2422 set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab 2423 for this phase. By default the refine flags are not set and the <span 2424 class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span 2425 class=SpellE>hkl</span>) = 100.0.</span></span></p> 2426 2427 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2428 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2429 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2430 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2431 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2432 style='mso-bidi-font-weight:normal'>Pawley estimate</b> – this attempts 2433 an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span 2434 class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the 2435 reflection as seen in the 1<sup>st</sup> powder pattern of those selected in 2436 the </span></span><a href="#Data"><span style='mso-bookmark:Texture'><span 2437 style='mso-bookmark:Draw_Atoms'>Data</span></span><span style='mso-bookmark: 2438 Texture'><span style='mso-bookmark:Draw_Atoms'></span></span></a><span 2439 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'> tab.</span></span></p> 2440 2441 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2442 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2443 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2444 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2445 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2446 style='mso-bidi-font-weight:normal'>Pawley delete </b>– this clears the 2447 set of Pawley reflections.</span></span></p> 2448 2449 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2450 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2451 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2452 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You 2453 can change the refine flags either by clicking on the box or by selecting one 2454 and then selecting the column (a single click on the column heading). Then type 2455 ‘y’ to set the refine flags or ‘n’ to clear the flags. 2456 You should deselect those reflections that fall below the lower limit or above 2457 the upper limit of the powder pattern otherwise you may have a singular matrix 2458 error in your Pawley refinement.</span></span></p> 2459 2460 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2461 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2462 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2463 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You 2464 can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span 2465 class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it, 2466 typing in the new value and then pressing enter or selecting somewhere else in 2467 the table.</span></span></p> 2468 2163 2469 <span style='mso-bookmark:Draw_Atoms'></span> 2164 2470 2165 <h3><span style='mso-bookmark:Texture'>Powder Histogram Windows</span></h3> 2471 <h3><span style='mso-bookmark:Texture'>Histograms</span></h3> 2472 2473 <p class=MsoNormal><span style='mso-bookmark:Texture'>These are shown in the 2474 data tree with a prefix of ‘PWDR’, ’HKLF’, ‘IMG’, 2475 ‘PDF’ or ‘XXXX’ (future – restraints??) and usually 2476 a file name. These constitute the data sets (‘Histograms’) to be 2477 used by GSAS-II for analysis. Selection of these items does not produce any 2478 information in the data window but does display the data in the Plots Window. 2479 They are described below.</span></p> 2480 2481 <h3><span style='mso-bookmark:Texture'>Powder Histograms - PWDR</span></h3> 2166 2482 2167 2483 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2168 "Times New Roman"'>When a powder diffraction data set ( histogram) is selected2169 from the </span></span><a href="#Data_tree"><span style='mso-bookmark:Texture'><span 2170 style='mso-fareast-font-family:"Times New Roman"'>data tree</span></span><span2484 "Times New Roman"'>When a powder diffraction data set (prefix ‘PWDR’) 2485 is selected from the </span></span><a href="#Data_tree"><span style='mso-bookmark: 2486 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>data tree</span></span><span 2171 2487 style='mso-bookmark:Texture'></span></a><span style='mso-bookmark:Texture'><span 2172 2488 style='mso-fareast-font-family:"Times New Roman"'>, a variety of subcategories … … 2175 2491 2176 2492 <h4><span style='mso-bookmark:Texture'><a name=Comments></a><a name=""></a><span 2177 style='mso-bookmark:Comments'><u>Comments</u></span></span></h4> 2493 style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></span></h4> 2494 2495 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2496 Comments'>This window shows whatever comment lines (preceded by “#”) 2497 found when the powder data file was read by GSAS-II. If you are lucky, there 2498 will be useful information here (e.g. sample name, date collected, wavelength 2499 used, etc.). If not, this window will be blank. The text is read-only in that 2500 anything you try to enter here is not saved.</span></span></p> 2178 2501 2179 2502 <span style='mso-bookmark:Comments'></span> 2180 2503 2181 <h4><span style='mso-bookmark:Texture'><a name=Background></a><a name=Limits><span 2182 style='mso-bookmark:Background'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></span></a></span><span 2183 style='mso-bookmark:Texture'><span style='mso-bookmark:Background'><span 2184 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></span></h4> 2185 2186 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2187 Background'><span style='mso-fareast-font-family:"Times New Roman"'>This window 2188 shows the limits in position to be used in any fitting for this powder pattern. 2189 The ‘original’ values are obtained from the minimum & maximum 2190 values in the powder pattern. You can modify ‘changed’ as needed.<o:p></o:p></span></span></span></p> 2191 2192 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Background'><span 2193 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></span></h5> 2194 2195 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo8'><span 2196 style='mso-bookmark:Texture'><span style='mso-bookmark:Background'><![if !supportLists]><span 2197 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2198 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2199 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2200 style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></span></span></p> 2201 2202 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2203 auto;text-indent:-.25in;mso-list:l14 level1 lfo17'><span style='mso-bookmark: 2204 Texture'><span style='mso-bookmark:Background'><![if !supportLists]><span 2504 <h4><span style='mso-bookmark:Texture'><a name=Limits><u><span 2505 style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a></span><span 2506 style='mso-bookmark:Texture'><u><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></span></h4> 2507 2508 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2509 "Times New Roman"'>This window shows the limits in position to be used in any 2510 fitting for this powder pattern. The ‘original’ values are obtained 2511 from the minimum & maximum values in the powder pattern. You can modify 2512 ‘changed’ as needed.<o:p></o:p></span></span></p> 2513 2514 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2515 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2516 2517 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2518 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2519 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2520 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2521 can change <span class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in 2522 the ‘changed’ row as needed. Use the mouse to select the value to 2523 be changed (the background on the box will be blue or have a black border or a 2524 vertical bar will appear in the value), then enter the new value and press 2525 Enter or click the mouse elsewhere in the Background window. This will set the 2526 new value.<o:p></o:p></span></span></p> 2527 2528 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2529 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2530 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 2531 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Modify 2532 the values of ‘changed’; this can be done on the plot by dragging 2533 the limit bars (left – vertical green dashed line, right – vertical 2534 red dashed line) into position. A left or right mouse click on a data point on 2535 the plot will set the associated limit. In either case the appropriate value on 2536 the ‘changed’ row will be updated immediately.<o:p></o:p></span></span></p> 2537 2538 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2539 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2540 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> 2541 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2542 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></span></p> 2543 2544 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2545 text-indent:-.25in;mso-list:l17 level1 lfo9'><span style='mso-bookmark:Texture'><![if !supportLists]><span 2205 2546 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2206 2547 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2207 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 2208 style='mso-bookmark:Texture'><span style='mso-bookmark:Background'><span 2209 style='mso-fareast-font-family:"Times New Roman"'> – this copies the limits 2210 shown to other selected powder patterns. If used, a dialog box (Copy Parameters) 2211 will appear showing the list of available powder patterns, you can copy the limits 2212 parameters to any or all of them; select ‘All’ to copy them to all 2213 patterns. Then select ‘OK’ to do the copy; ‘Cancel’ to 2214 cancel the operation.<o:p></o:p></span></span></span></p> 2215 2216 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2217 text-indent:-.25in;mso-list:l14 level1 lfo17'><span style='mso-bookmark:Texture'><span 2218 style='mso-bookmark:Background'><![if !supportLists]><span style='mso-fareast-font-family: 2219 "Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'> 2220 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Modify 2221 the values of ‘changed’; this can be done by entering the desired 2222 value into the appropriate boxes or by dragging the limit bars (left – vertical 2223 green dashed line, right – vertical red dashed line) into position. A 2224 left or right mouse click on a data point on the plot will set the associated 2225 limit.<o:p></o:p></span></span></span></p> 2226 2227 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Background'><span 2228 style='mso-fareast-font-family:"Times New Roman"'>Background</span></span></span><span 2229 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2548 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span 2549 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2550 – this copies the limits shown to other selected powder patterns. If 2551 used, a dialog box (Copy Parameters) will appear showing the list of available 2552 powder patterns, you can copy the limits parameters to any or all of them; 2553 select ‘All’ to copy them to all patterns. Then select 2554 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></p> 2555 2556 <h4><span style='mso-bookmark:Texture'><a name=Background><u><span 2557 style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></span></h4> 2558 2559 <span style='mso-bookmark:Background'></span> 2230 2560 2231 2561 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2232 "Times New Roman"'>This window shows the choice of background function and 2233 coefficients to be used in fitting this powder pattern.<o:p></o:p></span></span></p> 2562 "Times New Roman"'>This window shows the choice of background functions and 2563 coefficients to be used in fitting this powder pattern. There are three types 2564 of contributions available for the background:<o:p></o:p></span></span></p> 2565 2566 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2567 "Times New Roman"'>1). A continuous empirical function (‘<span 2568 class=SpellE>chebyschev</span>’, ‘cosine’, ‘<span 2569 class=SpellE><span class=GramE>lin</span></span> interpolate’, ‘inv 2570 interpolate’ & ‘log interpolate’). The latter three select 2571 fixed points with spacing that is <span class=GramE>either equal</span>, 2572 inversely equal or equal on a log scale of the x-coordinate. The set of magnitudes 2573 at each point then comprise the background variables. All are refined when refine 2574 is selected.<o:p></o:p></span></span></p> 2575 2576 <p class=MsoNormal style='tab-stops:0in'><span style='mso-bookmark:Texture'><span 2577 style='mso-fareast-font-family:"Times New Roman"'>2). A set of Debye diffuse scattering 2578 equation terms of the form:<br> 2579 </span></span><span style='mso-bookmark:Texture'></span><!--[if gte msEquation 12]><m:oMath><span 2580 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2581 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span 2582 style='mso-tab-count:2'> </span></span></i></m:r><m:r><i style='mso-bidi-font-style: 2583 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2584 "Times New Roman"'>B</span></i></m:r><m:r><i style='mso-bidi-font-style:normal'><span 2585 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>=</span></i></m:r><m:r><i 2586 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2587 mso-fareast-font-family:"Times New Roman"'>A</span></i></m:r></span><m:d><m:dPr><span 2588 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2589 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2590 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><span 2591 style='mso-bookmark:Texture'></span><m:f><m:fPr><m:type m:val="skw"/><span 2592 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2593 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2594 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><span 2595 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2596 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>sinQR</span></i></m:r></span></m:num><m:den><span 2597 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2598 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>QR</span></i></m:r></span></m:den></m:f><span 2599 style='mso-bookmark:Texture'></span></m:e></m:d><span style='mso-bookmark: 2600 Texture'></span><m:sSup><m:sSupPr><span style='font-family:"Cambria Math","serif"; 2601 mso-ascii-font-family:"Cambria Math";mso-fareast-font-family:"Times New Roman"; 2602 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2603 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><span style='mso-bookmark: 2604 Texture'><m:r><i style='mso-bidi-font-style:normal'><span style='font-family: 2605 "Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>e</span></i></m:r></span></m:e><m:sup><span 2606 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2607 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>-</span></i></m:r><m:r><i 2608 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2609 mso-fareast-font-family:"Times New Roman"'>U</span></i></m:r></span><m:sSup><m:sSupPr><span 2610 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2611 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2612 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><span 2613 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2614 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>Q</span></i></m:r></span></m:e><m:sup><span 2615 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2616 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>2</span></i></m:r></span></m:sup></m:sSup><span 2617 style='mso-bookmark:Texture'></span></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span 2618 style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: 2619 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2620 top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2621 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2622 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'> 2623 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> 2624 </v:shape><![endif]--><![if !vml]><img width=178 height=51 2625 src="gsasII_files/image003.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2626 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><span 2627 style='mso-tab-count:1'> </span><o:p></o:p></span></span></p> 2628 2629 <p class=MsoNormal><span style='mso-bookmark:Texture'><span class=GramE><span 2630 style='mso-fareast-font-family:"Times New Roman"'>where</span></span></span><span 2631 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2632 A,R & U are the possible variables and can be individually selected as desired; 2633 Q = 2</span></span><span style='mso-bookmark:Texture'><span style='font-family: 2634 Symbol;mso-fareast-font-family:"Times New Roman"'>p</span></span><span 2635 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></span></p> 2636 2637 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2638 "Times New Roman"'>3). A set of individual Bragg peaks using the pseudo-Voigt 2639 profile function as their shapes. Their parameters are ‘pos’, ’<span 2640 class=SpellE>int</span>’, ‘sig’ & ‘<span 2641 class=SpellE>gam</span>’; each can be selected for refinement. The 2642 default values for sig & <span class=SpellE>gam</span> (=0.10) are for very 2643 sharp peaks, you may adjust them accordingly to the kind of peak you are trying 2644 to fit before trying to refine them.<o:p></o:p></span></span></p> 2234 2645 2235 2646 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2236 2647 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2237 2648 2238 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 6 level1 lfo8'><span2649 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2239 2650 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2240 "Times New Roman"'><span style='mso-list:Ignore'> 2.<span style='font:7.0pt "Times New Roman"'> 2651 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2241 2652 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2242 2653 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></span></p> 2243 2654 2244 2655 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2245 auto;text-indent:-.25in;mso-list:l 14 level1 lfo17'><span style='mso-bookmark:2656 auto;text-indent:-.25in;mso-list:l2 level1 lfo18'><span style='mso-bookmark: 2246 2657 Texture'><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman"'><span 2247 style='mso-list:Ignore'> c.<span style='font:7.0pt "Times New Roman"'> 2658 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'> 2248 2659 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 2249 2660 style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span 2250 2661 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2251 – this copies the background parameters shown to other selected powder 2252 patterns. If used, a dialog box (Copy Parameters) will appear showing the list 2253 of available powder patterns, you can copy the background parameters to any or 2254 allof them; select ‘All’ to copy them to all patterns. Then select2662 – this copies the background parameters shown to other selected powder patterns. 2663 If used, a dialog box (Copy Parameters) will appear showing the list of 2664 available powder patterns, you can copy the background parameters to any or all 2665 of them; select ‘All’ to copy them to all patterns. Then select 2255 2666 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></p> 2256 2667 2257 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo8'><span 2668 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2669 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2670 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 2671 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2672 can select a different Background function from the pull down tab.<o:p></o:p></span></span></p> 2673 2674 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2258 2675 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2259 2676 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> 2260 2677 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2261 can select a different Background function from the pull down tab.<o:p></o:p></span></span></p>2262 2263 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6 level1 lfo8'><span2678 can choose to refine/not refine the background coefficients.<o:p></o:p></span></span></p> 2679 2680 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2264 2681 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2265 2682 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> 2266 2683 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2267 can choose to refine/not refine the background coefficients.<o:p></o:p></span></span></p>2268 2269 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6 level1 lfo8'><span2684 can select the number of background coefficients to be used (1-36).<o:p></o:p></span></span></p> 2685 2686 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2270 2687 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2271 2688 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> 2272 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You2273 can select the number of background coefficients to be used (1-36).<o:p></o:p></span></span></p>2274 2275 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo8'><span2276 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family:2277 "Times New Roman"'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> 2278 2689 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2279 2690 can change individual background coefficient values. Enter the value then press … … 2281 2692 new value.<o:p></o:p></span></span></p> 2282 2693 2283 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6 level1 lfo8'><span2694 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2284 2695 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2285 "Times New Roman"'><span style='mso-list:Ignore'> 7.<span style='font:7.0pt "Times New Roman"'> 2696 "Times New Roman"'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> 2286 2697 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2287 2698 can introduce one or more Debye scattering terms into the background. For each … … 2291 2702 coefficients.<o:p></o:p></span></span></p> 2292 2703 2293 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 6 level1 lfo8'><span2704 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2294 2705 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2295 "Times New Roman"'><span style='mso-list:Ignore'> 8.<span style='font:7.0pt "Times New Roman"'> 2706 "Times New Roman"'><span style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'> 2296 2707 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2297 2708 can introduce single Bragg peaks into the background. For each you should … … 2299 2710 the ‘<span class=SpellE>int</span>’ coefficients.<o:p></o:p></span></span></p> 2300 2711 2301 <h4><span style='mso-bookmark:Texture'><a name="Instrument_Parameters">< span2302 style='mso-fareast-font-family:"Times New Roman"'>Instrument Parameters</span></ a></span><span2303 style='mso-bookmark:Texture'>< span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4>2712 <h4><span style='mso-bookmark:Texture'><a name="Instrument_Parameters"><u><span 2713 style='mso-fareast-font-family:"Times New Roman"'>Instrument Parameters</span></u></a></span><span 2714 style='mso-bookmark:Texture'><u><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></span></h4> 2304 2715 2305 2716 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: … … 2310 2721 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2311 2722 2312 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 4 level1 lfo9'><span2723 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2313 2724 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2314 2725 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span … … 2318 2729 2319 2730 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2320 auto;text-indent:-.25in;mso-list:l1 2 level1 lfo18'><span style='mso-bookmark:2731 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2321 2732 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2322 2733 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span … … 2329 2740 2330 2741 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2331 auto;text-indent:-.25in;mso-list:l1 2 level1 lfo18'><span style='mso-bookmark:2742 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2332 2743 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2333 2744 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span … … 2335 2746 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 2336 2747 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2337 style='mso-fareast-font-family:"Times New Roman"'> – this copies the instrument2338 parameters shown to other selected powder patterns. If used, a dialog box (Copy 2339 Parameters) will appear showing the list of available powder patterns, you can 2340 copy the instrument parameters to any or all of them; select ‘All’ 2341 to copy them to all patterns. Then select ‘OK’ to do the copy; 2342 ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></span></p>2343 2344 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2345 auto;text-indent:-.25in;mso-list:l1 2 level1 lfo18'><span style='mso-bookmark:2748 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2749 instrument parameters shown to other selected powder patterns. If used, a 2750 dialog box (Copy Parameters) will appear showing the list of available powder 2751 patterns, you can copy the instrument parameters to any or all of them; select 2752 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2753 do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></span></p> 2754 2755 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2756 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2346 2757 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2347 2758 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span … … 2363 2774 style='mso-fareast-font-family:"Times New Roman"'>2</span></sub></span></span><span 2364 2775 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2365 style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a laboratory2366 tube source).<o:p></o:p></span></span></span></p>2367 2368 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 4 level1 lfo9'><span2776 style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a 2777 laboratory tube source).<o:p></o:p></span></span></span></p> 2778 2779 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2369 2780 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2370 2781 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span … … 2373 2784 profile coefficients<o:p></o:p></span></span></span></p> 2374 2785 2375 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 4 level1 lfo9'><span2786 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2376 2787 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2377 2788 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span … … 2397 2808 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2398 2809 2399 <h4><span style='mso-bookmark:Texture'><a name="P eak_List"></a><a2400 name="P owder_Peaks"><span style='mso-bookmark:Peak_List'><span2810 <h4><span style='mso-bookmark:Texture'><a name="Powder_Peaks"></a><a 2811 name="Peak_List"><span style='mso-bookmark:Powder_Peaks'><span 2401 2812 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a></span><span 2402 2813 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> … … 2434 2845 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2435 2846 2436 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 4 level1 lfo9'><span2847 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2437 2848 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2438 2849 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> … … 2452 2863 table to the position shown here.<o:p></o:p></span></span></p> 2453 2864 2454 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 4 level1 lfo9'><span2865 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2455 2866 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2456 2867 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> … … 2473 2884 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2474 2885 2886 <h3><span style='mso-bookmark:Texture'>Single Crystal Histograms - HKLF</span></h3> 2887 2888 <h3><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2889 "Times New Roman"'>Pair Distribution Functions - PDF<o:p></o:p></span></span></h3> 2890 2891 <h4><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2892 "Times New Roman"'>PDF Controls<o:p></o:p></span></span></h4> 2893 2894 <h4><span style='mso-bookmark:Texture'><span class=GramE><span 2895 style='mso-fareast-font-family:"Times New Roman"'>I(</span></span></span><span 2896 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Q), 2897 S(Q), F(Q) & G(R)<o:p></o:p></span></span></h4> 2898 2899 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2900 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2901 2902 <h3><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2903 "Times New Roman"'>2-D Images – IMG<o:p></o:p></span></span></h3> 2904 2905 <h4><span style='mso-bookmark:Texture'><a name=Images>Image Controls</a></span></h4> 2906 2907 <span style='mso-bookmark:Images'></span> 2908 2909 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2910 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2911 2912 <h4><span style='mso-bookmark:Texture'><a name="_Image_Masks"></a></span><a 2913 href="#_Image_Masks"><span style='mso-bookmark:Texture'><span style='color: 2914 #4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image 2915 Ma<span style='mso-bookmark:Image_Masks'></span>sks</span></span></a><![if !supportNestedAnchors]><a 2916 name="Image_Masks"></a><![endif]><span style='mso-bookmark:Texture'></span></h4> 2917 2918 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2919 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2920 2475 2921 <div class=MsoNormal align=center style='text-align:center'><span 2476 2922 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> … … 2511 2957 <ul type=disc> 2512 2958 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2513 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2959 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2514 2960 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Home: 2515 2961 returns the plot to the initial scaling <o:p></o:p></span></span></li> 2516 2962 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2517 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2963 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2518 2964 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Back: 2519 2965 returns the plot to the previous scaling <o:p></o:p></span></span></li> 2520 2966 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2521 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2967 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2522 2968 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Forward: 2523 2969 reverses the action in the previous press(es) of the Back button <o:p></o:p></span></span></li> 2524 2970 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2525 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2971 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2526 2972 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Pan: 2527 2973 allows you to control panning across the plot (press left mouse button) 2528 2974 and zooming (press right mouse button), <o:p></o:p></span></span></li> 2529 2975 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2530 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2976 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2531 2977 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Zoom: 2532 2978 allows you to select a portion of the plot (press right mouse button & 2533 2979 drag for zoom box) for the next plot. <o:p></o:p></span></span></li> 2534 2980 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2535 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2981 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2536 2982 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Save: 2537 2983 allows you to save the currently displayed plot in one of several 2538 graphical formats suitable for printing or insertion in a document. The<o:p></o:p></span></span></li>2984 graphical formats suitable for printing or insertion in a document.<o:p></o:p></span></span></li> 2539 2985 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2540 mso-list:l 0 level1 lfo10;tab-stops:list .5in'><span style='mso-bookmark:2986 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2541 2987 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Help: 2542 2988 accesses GSASII help on the specific plot type. <o:p></o:p></span></span></li> … … 2573 3019 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2574 3020 3021 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l20 level1 lfo22'><span 3022 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 3023 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 3024 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Move 3025 the mouse cursor across the plot. <o:p></o:p></span></span></p> 3026 2575 3027 <h4><span style='mso-bookmark:Texture'><a name=Covariance><span 2576 3028 style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a></span><span … … 2580 3032 "Times New Roman"'>The variance-covariance matrix as a color coded array is 2581 3033 shown on this page. The color bar to the right shows the range of <span 2582 class=SpellE>covariances</span> (-1 to 1) and corresponding colors. The 2583 parameternames are to the right and the parameter numbers are below the plot.<o:p></o:p></span></span></p>3034 class=SpellE>covariances</span> (-1 to 1) and corresponding colors. The parameter 3035 names are to the right and the parameter numbers are below the plot.<o:p></o:p></span></span></p> 2584 3036 2585 3037 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2586 3038 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2587 3039 2588 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 3 level1 lfo11'><span3040 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo13'><span 2589 3041 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2590 3042 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2591 3043 </span></span></span><![endif]>Move the mouse cursor across the plot. If on a 2592 diagonal cell, the parameter name, value and <span class=SpellE>esd</span> is 2593 shown both as a tool tip and in the right hand portion of the status bar. If 2594 the cursor is off the diagonal, the two parameter names and their covariance2595 areshown in the tool tip and the status bar.</span></p>2596 2597 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 3 level1 lfo11'><span3044 diagonal cell, the parameter name, value and <span class=SpellE>esd</span> is shown 3045 both as a tool tip and in the right hand portion of the status bar. If the 3046 cursor is off the diagonal, the two parameter names and their covariance are 3047 shown in the tool tip and the status bar.</span></p> 3048 3049 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo13'><span 2598 3050 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2599 3051 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> … … 2642 3094 2643 3095 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2644 plot shows... <o:p></o:p></span></p> 3096 plot shows the variation of the selected parameters with respect to the data 3097 sequence number.<o:p></o:p></span></p> 2645 3098 2646 3099 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
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