Changeset 536 for trunk/help/gsasII.html
- Timestamp:
- Apr 9, 2012 2:54:22 PM (11 years ago)
- File:
-
- 1 edited
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trunk/help/gsasII.html (modified) (105 diffs)
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trunk/help/gsasII.html
r519 r536 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>7 0</o:Revision>28 <o:TotalTime>2 555</o:TotalTime>27 <o:Revision>75</o:Revision> 28 <o:TotalTime>2665</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-0 3-08T21:43:00Z</o:LastSaved>31 <o:Pages> 7</o:Pages>32 <o:Words>6 123</o:Words>33 <o:Characters>3 4907</o:Characters>30 <o:LastSaved>2012-04-09T15:58:00Z</o:LastSaved> 31 <o:Pages>8</o:Pages> 32 <o:Words>6840</o:Words> 33 <o:Characters>38990</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines> 290</o:Lines>36 <o:Paragraphs> 81</o:Paragraphs>37 <o:CharactersWithSpaces>4 0949</o:CharactersWithSpaces>35 <o:Lines>324</o:Lines> 36 <o:Paragraphs>91</o:Paragraphs> 37 <o:CharactersWithSpaces>45739</o:CharactersWithSpaces> 38 38 <o:Version>12.00</o:Version> 39 39 </o:DocumentProperties> … … 457 457 font-style:italic;} 458 458 h5 459 {mso-style-noshow:yes; 460 mso-style-priority:9; 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1503 mso-level-tab-stop:1.0in; 1504 mso-level-number-position:left; 1505 text-indent:-.25in; 1506 mso-ansi-font-size:12.0pt; 1507 font-family:"Times New Roman","serif"; 1508 mso-ansi-font-weight:normal; 1509 mso-ansi-font-style:normal;} 1510 @list l17:level3 1511 {mso-level-tab-stop:1.5in; 1512 mso-level-number-position:left; 1513 text-indent:-.25in;} 1514 @list l17:level4 1515 {mso-level-number-format:alpha-lower; 1516 mso-level-tab-stop:2.0in; 1517 mso-level-number-position:left; 1518 text-indent:-.25in;} 1519 @list l17:level5 1520 {mso-level-tab-stop:2.5in; 1521 mso-level-number-position:left; 1522 text-indent:-.25in;} 1523 @list l17:level6 1524 {mso-level-tab-stop:3.0in; 1525 mso-level-number-position:left; 1526 text-indent:-.25in;} 1527 @list l17:level7 1528 {mso-level-tab-stop:3.5in; 1529 mso-level-number-position:left; 1530 text-indent:-.25in;} 1531 @list l17:level8 1532 {mso-level-tab-stop:4.0in; 1533 mso-level-number-position:left; 1534 text-indent:-.25in;} 1535 @list l17:level9 1536 {mso-level-tab-stop:4.5in; 1537 mso-level-number-position:left; 1538 text-indent:-.25in;} 1539 @list l18 1365 1540 {mso-list-id:1453328047; 1366 1541 mso-list-type:hybrid; 1367 1542 mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1368 @list l1 4:level11543 @list l18:level1 1369 1544 {mso-level-number-format:alpha-lower; 1370 1545 mso-level-tab-stop:none; … … 1373 1548 text-indent:-.25in; 1374 1549 mso-ansi-font-weight:normal;} 1375 @list l1 4:level21550 @list l18:level2 1376 1551 {mso-level-tab-stop:1.0in; 1377 1552 mso-level-number-position:left; 1378 1553 text-indent:-.25in;} 1379 @list l1 4:level31554 @list l18:level3 1380 1555 {mso-level-tab-stop:1.5in; 1381 1556 mso-level-number-position:left; 1382 1557 text-indent:-.25in;} 1383 @list l1 4:level41558 @list l18:level4 1384 1559 {mso-level-tab-stop:2.0in; 1385 1560 mso-level-number-position:left; 1386 1561 text-indent:-.25in;} 1387 @list l1 4:level51562 @list l18:level5 1388 1563 {mso-level-tab-stop:2.5in; 1389 1564 mso-level-number-position:left; 1390 1565 text-indent:-.25in;} 1391 @list l1 4:level61566 @list l18:level6 1392 1567 {mso-level-tab-stop:3.0in; 1393 1568 mso-level-number-position:left; 1394 1569 text-indent:-.25in;} 1395 @list l1 4:level71570 @list l18:level7 1396 1571 {mso-level-tab-stop:3.5in; 1397 1572 mso-level-number-position:left; 1398 1573 text-indent:-.25in;} 1399 @list l1 4:level81574 @list l18:level8 1400 1575 {mso-level-tab-stop:4.0in; 1401 1576 mso-level-number-position:left; 1402 1577 text-indent:-.25in;} 1403 @list l1 4:level91578 @list l18:level9 1404 1579 {mso-level-tab-stop:4.5in; 1405 1580 mso-level-number-position:left; 1406 1581 text-indent:-.25in;} 1407 @list l1 51582 @list l19 1408 1583 {mso-list-id:1602683002; 1409 1584 mso-list-type:hybrid; 1410 1585 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1411 @list l1 5:level11586 @list l19:level1 1412 1587 {mso-level-tab-stop:none; 1413 1588 mso-level-number-position:left; 1414 1589 text-indent:-.25in;} 1415 @list l1 5:level21590 @list l19:level2 1416 1591 {mso-level-number-format:alpha-lower; 1417 1592 mso-level-tab-stop:none; 1418 1593 mso-level-number-position:left; 1419 1594 text-indent:-.25in;} 1420 @list l1 5:level31595 @list l19:level3 1421 1596 {mso-level-tab-stop:1.5in; 1422 1597 mso-level-number-position:left; 1423 1598 text-indent:-.25in;} 1424 @list l1 5:level41599 @list l19:level4 1425 1600 {mso-level-tab-stop:2.0in; 1426 1601 mso-level-number-position:left; 1427 1602 text-indent:-.25in;} 1428 @list l1 5:level51603 @list l19:level5 1429 1604 {mso-level-tab-stop:2.5in; 1430 1605 mso-level-number-position:left; 1431 1606 text-indent:-.25in;} 1432 @list l1 5:level61607 @list l19:level6 1433 1608 {mso-level-tab-stop:3.0in; 1434 1609 mso-level-number-position:left; 1435 1610 text-indent:-.25in;} 1436 @list l1 5:level71611 @list l19:level7 1437 1612 {mso-level-tab-stop:3.5in; 1438 1613 mso-level-number-position:left; 1439 1614 text-indent:-.25in;} 1440 @list l1 5:level81615 @list l19:level8 1441 1616 {mso-level-tab-stop:4.0in; 1442 1617 mso-level-number-position:left; 1443 1618 text-indent:-.25in;} 1444 @list l1 5:level91619 @list l19:level9 1445 1620 {mso-level-tab-stop:4.5in; 1446 1621 mso-level-number-position:left; 1447 1622 text-indent:-.25in;} 1448 @list l 161623 @list l20 1449 1624 {mso-list-id:1669404025; 1450 1625 mso-list-type:hybrid; 1451 1626 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1452 @list l 16:level11627 @list l20:level1 1453 1628 {mso-level-number-format:alpha-lower; 1454 1629 mso-level-tab-stop:none; … … 1457 1632 text-indent:-.25in; 1458 1633 mso-ansi-font-weight:normal;} 1459 @list l 16:level21634 @list l20:level2 1460 1635 {mso-level-tab-stop:1.0in; 1461 1636 mso-level-number-position:left; 1462 1637 text-indent:-.25in;} 1463 @list l 16:level31638 @list l20:level3 1464 1639 {mso-level-tab-stop:112.5pt; 1465 1640 mso-level-number-position:left; 1466 1641 margin-left:112.5pt; 1467 1642 text-indent:-.25in;} 1468 @list l 16:level41643 @list l20:level4 1469 1644 {mso-level-tab-stop:2.0in; 1470 1645 mso-level-number-position:left; 1471 1646 text-indent:-.25in;} 1472 @list l 16:level51647 @list l20:level5 1473 1648 {mso-level-tab-stop:2.5in; 1474 1649 mso-level-number-position:left; 1475 1650 text-indent:-.25in;} 1476 @list l 16:level61651 @list l20:level6 1477 1652 {mso-level-tab-stop:3.0in; 1478 1653 mso-level-number-position:left; 1479 1654 text-indent:-.25in;} 1480 @list l 16:level71655 @list l20:level7 1481 1656 {mso-level-tab-stop:3.5in; 1482 1657 mso-level-number-position:left; 1483 1658 text-indent:-.25in;} 1484 @list l 16:level81659 @list l20:level8 1485 1660 {mso-level-tab-stop:4.0in; 1486 1661 mso-level-number-position:left; 1487 1662 text-indent:-.25in;} 1488 @list l 16:level91663 @list l20:level9 1489 1664 {mso-level-tab-stop:4.5in; 1490 1665 mso-level-number-position:left; 1491 1666 text-indent:-.25in;} 1492 @list l 171667 @list l21 1493 1668 {mso-list-id:1753089587; 1494 1669 mso-list-template-ids:1555050902;} 1495 @list l 17:level11670 @list l21:level1 1496 1671 {mso-level-tab-stop:none; 1497 1672 mso-level-number-position:left; 1498 1673 text-indent:-.25in;} 1499 @list l 17:level21674 @list l21:level2 1500 1675 {mso-level-tab-stop:1.0in; 1501 1676 mso-level-number-position:left; 1502 1677 text-indent:-.25in;} 1503 @list l 17:level31678 @list l21:level3 1504 1679 {mso-level-tab-stop:1.5in; 1505 1680 mso-level-number-position:left; 1506 1681 text-indent:-.25in;} 1507 @list l 17:level41682 @list l21:level4 1508 1683 {mso-level-tab-stop:2.0in; 1509 1684 mso-level-number-position:left; 1510 1685 text-indent:-.25in;} 1511 @list l 17:level51686 @list l21:level5 1512 1687 {mso-level-tab-stop:2.5in; 1513 1688 mso-level-number-position:left; 1514 1689 text-indent:-.25in;} 1515 @list l 17:level61690 @list l21:level6 1516 1691 {mso-level-tab-stop:3.0in; 1517 1692 mso-level-number-position:left; 1518 1693 text-indent:-.25in;} 1519 @list l 17:level71694 @list l21:level7 1520 1695 {mso-level-tab-stop:3.5in; 1521 1696 mso-level-number-position:left; 1522 1697 text-indent:-.25in;} 1523 @list l 17:level81698 @list l21:level8 1524 1699 {mso-level-tab-stop:4.0in; 1525 1700 mso-level-number-position:left; 1526 1701 text-indent:-.25in;} 1527 @list l 17:level91702 @list l21:level9 1528 1703 {mso-level-tab-stop:4.5in; 1529 1704 mso-level-number-position:left; 1530 1705 text-indent:-.25in;} 1531 @list l 181706 @list l22 1532 1707 {mso-list-id:2029942403; 1533 1708 mso-list-template-ids:1555050902;} 1534 @list l 18:level11709 @list l22:level1 1535 1710 {mso-level-tab-stop:none; 1536 1711 mso-level-number-position:left; 1537 1712 text-indent:-.25in;} 1538 @list l 18:level21713 @list l22:level2 1539 1714 {mso-level-tab-stop:1.0in; 1540 1715 mso-level-number-position:left; 1541 1716 text-indent:-.25in;} 1542 @list l 18:level31717 @list l22:level3 1543 1718 {mso-level-tab-stop:1.5in; 1544 1719 mso-level-number-position:left; 1545 1720 text-indent:-.25in;} 1546 @list l 18:level41721 @list l22:level4 1547 1722 {mso-level-tab-stop:2.0in; 1548 1723 mso-level-number-position:left; 1549 1724 text-indent:-.25in;} 1550 @list l 18:level51725 @list l22:level5 1551 1726 {mso-level-tab-stop:2.5in; 1552 1727 mso-level-number-position:left; 1553 1728 text-indent:-.25in;} 1554 @list l 18:level61729 @list l22:level6 1555 1730 {mso-level-tab-stop:3.0in; 1556 1731 mso-level-number-position:left; 1557 1732 text-indent:-.25in;} 1558 @list l 18:level71733 @list l22:level7 1559 1734 {mso-level-tab-stop:3.5in; 1560 1735 mso-level-number-position:left; 1561 1736 text-indent:-.25in;} 1562 @list l 18:level81737 @list l22:level8 1563 1738 {mso-level-tab-stop:4.0in; 1564 1739 mso-level-number-position:left; 1565 1740 text-indent:-.25in;} 1566 @list l 18:level91741 @list l22:level9 1567 1742 {mso-level-tab-stop:4.5in; 1568 1743 mso-level-number-position:left; 1569 1744 text-indent:-.25in;} 1570 @list l 191745 @list l23 1571 1746 {mso-list-id:2095858496; 1572 1747 mso-list-type:hybrid; 1573 1748 mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1574 @list l 19:level11749 @list l23:level1 1575 1750 {mso-level-tab-stop:none; 1576 1751 mso-level-number-position:left; 1577 1752 text-indent:-.25in;} 1578 @list l 19:level21753 @list l23:level2 1579 1754 {mso-level-tab-stop:1.0in; 1580 1755 mso-level-number-position:left; 1581 1756 text-indent:-.25in;} 1582 @list l 19:level31757 @list l23:level3 1583 1758 {mso-level-tab-stop:1.5in; 1584 1759 mso-level-number-position:left; 1585 1760 text-indent:-.25in;} 1586 @list l 19:level41761 @list l23:level4 1587 1762 {mso-level-tab-stop:2.0in; 1588 1763 mso-level-number-position:left; 1589 1764 text-indent:-.25in;} 1590 @list l 19:level51765 @list l23:level5 1591 1766 {mso-level-tab-stop:2.5in; 1592 1767 mso-level-number-position:left; 1593 1768 text-indent:-.25in;} 1594 @list l 19:level61769 @list l23:level6 1595 1770 {mso-level-tab-stop:3.0in; 1596 1771 mso-level-number-position:left; 1597 1772 text-indent:-.25in;} 1598 @list l 19:level71773 @list l23:level7 1599 1774 {mso-level-tab-stop:3.5in; 1600 1775 mso-level-number-position:left; 1601 1776 text-indent:-.25in;} 1602 @list l 19:level81777 @list l23:level8 1603 1778 {mso-level-tab-stop:4.0in; 1604 1779 mso-level-number-position:left; 1605 1780 text-indent:-.25in;} 1606 @list l 19:level91781 @list l23:level9 1607 1782 {mso-level-tab-stop:4.5in; 1608 1783 mso-level-number-position:left; … … 1635 1810 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1636 1811 <!--[if gte mso 9]><xml> 1637 <o:shapedefaults v:ext="edit" spidmax="1 5362"/>1812 <o:shapedefaults v:ext="edit" spidmax="16386"/> 1638 1813 </xml><![endif]--><!--[if gte mso 9]><xml> 1639 1814 <o:shapelayout v:ext="edit"> … … 1666 1841 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1667 1842 <o:lock v:ext="edit" aspectratio="t"/> 1668 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s104 4" type="#_x0000_t75"1843 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1045" type="#_x0000_t75" 1669 1844 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1670 1845 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; … … 1684 1859 window, which provides a hierarchical view of the current project; the <a 1685 1860 href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of 1686 a particular section of the project, where values can be examined and changed; the1687 <a href="#Plots">GSAS-II Plots</a> window, which shows graphical1861 a particular section of the project, where values can be examined and changed; 1862 the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical 1688 1863 representations of the results; and the console which has printout information 1689 1864 that can be selected, cut & pasted into a document. <o:p></o:p></span></p> … … 1722 1897 as outlined below: <o:p></o:p></span></p> 1723 1898 1724 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1899 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span 1725 1900 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1726 1901 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1728 1903 1729 1904 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1730 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1905 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1731 1906 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1732 1907 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1741 1916 1742 1917 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1743 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1918 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1744 1919 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1745 1920 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1752 1927 1753 1928 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1754 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1929 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1755 1930 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1756 1931 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1762 1937 1763 1938 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1764 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1939 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1765 1940 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1766 1941 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1771 1946 1772 1947 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1773 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1948 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1774 1949 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1775 1950 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1780 1955 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1781 1956 1782 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1957 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span 1783 1958 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1784 1959 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1786 1961 1787 1962 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1788 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1963 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1789 1964 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1790 1965 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1800 1975 1801 1976 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1802 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1977 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1803 1978 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1804 1979 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1813 1988 1814 1989 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1815 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1990 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1816 1991 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1817 1992 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1822 1997 1823 1998 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1824 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1999 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1825 2000 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1826 2001 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1828 2003 1829 2004 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1830 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2005 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1831 2006 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1832 2007 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1834 2009 1835 2010 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1836 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2011 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1837 2012 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1838 2013 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1840 2015 1841 2016 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1842 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2017 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1843 2018 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 1844 2019 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1849 2024 opened for this phase; you should first select the phase type, enter the space 1850 2025 group symbol and then lattice parameters. Note that nonstandard space group 1851 symbols are permitted; there must be spaces between the axial fields (e.g. use ‘P1852 n a 21’ not ‘Pna21’).</p>1853 1854 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1855 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2026 symbols are permitted; there must be spaces between the axial fields (e.g. use 2027 ‘P n a 21’ not ‘Pna21’).</p> 2028 2029 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2030 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1856 2031 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 1857 2032 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1858 2033 style='mso-bidi-font-weight:normal'>Delete phase</b> – This will remove a 1859 phase from the data tree. A dialog box will present the list of phases; pick one1860 (or more) to delete.</p>1861 1862 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1863 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2034 phase from the data tree. A dialog box will present the list of phases; pick 2035 one (or more) to delete.</p> 2036 2037 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2038 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1864 2039 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 1865 2040 style='font:7.0pt "Times New Roman"'> 1866 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename data</b>1867 – This might be a bad idea!!</p>1868 1869 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1870 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2041 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename 2042 data</b> – This might be a bad idea!!</p> 2043 2044 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2045 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1871 2046 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 1872 2047 style='font:7.0pt "Times New Roman"'> … … 1875 2050 a list of choices is presented.</p> 1876 2051 1877 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span2052 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span 1878 2053 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1879 2054 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1881 2056 1882 2057 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1883 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2058 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1884 2059 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1885 2060 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1891 2066 1892 2067 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1893 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2068 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1894 2069 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1895 2070 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1910 2085 1911 2086 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1912 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2087 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1913 2088 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1914 2089 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1915 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the 1916 refinement (Pawley/Rietveld or single crystal) according to the controls set in 1917 the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> 1918 datatree item.</p>1919 1920 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1921 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2090 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the refinement 2091 (Pawley/Rietveld or single crystal) according to the controls set in the <b 2092 style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> data 2093 tree item.</p> 2094 2095 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2096 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1922 2097 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1923 2098 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1926 2101 normal'><a href="#Controls">Controls</a></b> data tree item.</p> 1927 2102 1928 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span2103 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span 1929 2104 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1930 2105 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1932 2107 1933 2108 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1934 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2109 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1935 2110 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1936 2111 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1938 2113 1939 2114 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1940 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2115 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1941 2116 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1942 2117 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1951 2126 1952 2127 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1953 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2128 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1954 2129 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1955 2130 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1956 style='mso-bidi-font-weight:normal'>Import Phase PDB…</b> - This reads the1957 macromolecular phase information from a Protein Data Base file (name.PDB or2131 style='mso-bidi-font-weight:normal'>Import Phase PDB…</b> - This reads 2132 the macromolecular phase information from a Protein Data Base file (name.PDB or 1958 2133 name.ENT). The file name is found in a directory dialog; you can change 1959 directories as needed. Only .PDB or .ENT file names are shown. A dialog box is 1960 shown with the proposed phase name. You can change it if desired.</p> 2134 directories as needed. Only .PDB or .ENT file names are shown. Be careful that 2135 the space group symbol on the ‘CRYST1’ record in the PDB file follows 2136 the GSAS-II conventions (e.g. with spaces between axial fields). A dialog box 2137 is shown with the proposed phase name. You can change it if desired.</p> 1961 2138 1962 2139 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1963 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2140 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1964 2141 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1965 2142 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1974 2151 1975 2152 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1976 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2153 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1977 2154 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1978 2155 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1988 2165 1989 2166 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1990 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2167 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1991 2168 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1992 2169 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1994 2171 1995 2172 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1996 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2173 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 1997 2174 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1998 2175 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1999 2176 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 2000 2177 2001 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span2178 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span 2002 2179 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2003 2180 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2005 2182 2006 2183 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2007 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2184 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2008 2185 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2009 2186 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2011 2188 2012 2189 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2013 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2190 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2014 2191 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2015 2192 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2017 2194 2018 2195 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2019 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2196 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2020 2197 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2021 2198 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2023 2200 2024 2201 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2025 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2202 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2026 2203 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2027 2204 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2029 2206 2030 2207 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2031 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2208 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2032 2209 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2033 2210 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2035 2212 2036 2213 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2037 text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span2214 text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span 2038 2215 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2039 2216 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2101 2278 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2102 2279 2103 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2280 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2104 2281 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2105 2282 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2106 2283 style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement 2107 2284 uses ‘analytic <span class=SpellE>Jacobian</span>’, ‘analytic 2108 Hessian’ or ‘numeric’ derivatives. The last is slower and 2109 perhaps a bit less accurate, but may be needed if the analytic functions are 2110 not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N 2111 x M (parameters x observations) and is much larger than the Hessian matrix 2112 which isshaped M x M (parameters x parameters). Generally use ‘analytic2285 Hessian’ or ‘numeric’ derivatives. The last is slower and perhaps 2286 a bit less accurate, but may be needed if the analytic functions are not fully 2287 developed. The <span class=SpellE>Jacobian</span> matrix is shaped N x M 2288 (parameters x observations) and is much larger than the Hessian matrix which is 2289 shaped M x M (parameters x parameters). Generally use ‘analytic 2113 2290 Hessian’ for routine work.<o:p></o:p></span></p> 2114 2291 2115 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2292 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2116 2293 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2117 2294 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2123 2300 to 1.0.<o:p></o:p></span></p> 2124 2301 2125 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2302 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2126 2303 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2127 2304 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2135 2312 performance.<o:p></o:p></span></p> 2136 2313 2137 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2314 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2138 2315 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2139 2316 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2147 2324 cycles.<o:p></o:p></span></p> 2148 2325 2149 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2326 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2150 2327 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2151 2328 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2178 2355 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2179 2356 2180 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 5level1 lfo3'><![if !supportLists]><span2357 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo3'><![if !supportLists]><span 2181 2358 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2182 2359 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2185 2362 the ‘Edit menu.<o:p></o:p></span></p> 2186 2363 2187 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo3'><![if !supportLists]><span2364 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo3'><![if !supportLists]><span 2188 2365 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2189 2366 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2192 2369 2193 2370 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2194 auto;text-indent:-.25in;mso-list:l1 5level2 lfo3'><![if !supportLists]><span2371 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span 2195 2372 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2196 2373 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2202 2379 selected as a group for refinement. For example, if the space group for a phase 2203 2380 has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter 2204 is arbitrary and should be selected for a Hold to keep the structure from 2205 drifting up or down the y-axis during refinement. If selected, a dialog box 2206 will appear showing the list of available parameters; select one and then OK to 2207 i mplement it, Cancel will cancel the operation. The held parameter will be2208 shown in the constraint window with the keyword ‘FIXED’. A Delete2209 button can beused to remove it.<o:p></o:p></span></p>2210 2211 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2212 auto;text-indent:-.25in;mso-list:l1 5level2 lfo3'><![if !supportLists]><span2381 is arbitrary and should be selected for a Hold to keep the structure from drifting 2382 up or down the y-axis during refinement. If selected, a dialog box will appear 2383 showing the list of available parameters; select one and then OK to implement 2384 it, Cancel will cancel the operation. The held parameter will be shown in the 2385 constraint window with the keyword ‘FIXED’. A Delete button can be 2386 used to remove it.<o:p></o:p></span></p> 2387 2388 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2389 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span 2213 2390 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2214 2391 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2229 2406 2230 2407 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2231 auto;text-indent:-.25in;mso-list:l1 5level2 lfo3'><![if !supportLists]><span2408 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span 2232 2409 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2233 2410 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2247 2424 2248 2425 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2249 text-indent:-.25in;mso-list:l1 5level2 lfo3'><![if !supportLists]><span2426 text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span 2250 2427 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2251 2428 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2276 2453 ‘p<span class=GramE>:h:name:n’</span> where p is the phase number, 2277 2454 h is the histogram number, name is the parameter name, and num (if needed) is 2278 the item number (e.g. atom number). The rows are the data sets used in the 2279 sequentialrefinement.</p>2455 the item number (e.g. atom number). The rows are the data sets used in the sequential 2456 refinement.</p> 2280 2457 2281 2458 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 2297 2474 a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a 2298 2475 href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data 2299 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety2300 of subcategories in the tree are shown. The items that are shown depend on the 2301 data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>2476 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a 2477 variety of subcategories in the tree are shown. The items that are shown depend 2478 on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2302 2479 2303 2480 <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span 2304 2481 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2305 2482 2306 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 18level1 lfo4'><span2483 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo4'><span 2307 2484 style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family: 2308 2485 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> … … 2311 2488 2312 2489 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2313 text-indent:-.25in;mso-list:l 16level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span2490 text-indent:-.25in;mso-list:l20 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span 2314 2491 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2315 2492 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2332 2509 whatever comment lines (preceded by “#”) found when the powder data 2333 2510 file was read by GSAS-II. If you are lucky, there will be useful information 2334 here (e.g. sample name, date collected, wavelength used, etc.). If not, this window2335 wi ll be blank. The text is read-only in that anything you try to enter here is2336 not saved.</span></p>2511 here (e.g. sample name, date collected, wavelength used, etc.). If not, this 2512 window will be blank. The text is read-only in that anything you try to enter 2513 here is not saved.</span></p> 2337 2514 2338 2515 <span style='mso-bookmark:Comments'></span> … … 2393 2570 2394 2571 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2395 window shows the choice of background functions and coefficients to be used in 2396 fitting this powder pattern. There are three types of contributions available2397 for thebackground:<o:p></o:p></span></p>2572 window shows the choice of background functions and coefficients to be used in fitting 2573 this powder pattern. There are three types of contributions available for the 2574 background:<o:p></o:p></span></p> 2398 2575 2399 2576 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). … … 2408 2585 <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family: 2409 2586 "Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the 2410 form:<br> 2411 </span><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span 2412 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span 2413 style='mso-tab-count:2'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span 2587 form:<o:p></o:p></span></p> 2588 2589 <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family: 2590 "Times New Roman"'><span style='mso-tab-count:1'> </span></span><!--[if gte msEquation 12]><m:oMath><i 2591 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2592 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:2'> </span><m:r><span 2593 style='mso-tab-count:1'> </span></m:r><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span 2414 2594 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2415 2595 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 2443 2623 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> 2444 2624 </v:shape><![endif]--><![if !vml]><img width=178 height=51 2445 src="gsasII_files/image00 5.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span2625 src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2446 2626 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count: 2447 2627 1'> </span><o:p></o:p></span></p> … … 2464 2644 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2465 2645 2466 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2646 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2467 2647 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2468 2648 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2488 2668 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2489 2669 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 2490 this copies only the refinement flags shown to other selected powder patterns. If2491 used, a dialog box (Copy Refinement Flags) will appear showing the list of2670 this copies only the refinement flags shown to other selected powder patterns. 2671 If used, a dialog box (Copy Refinement Flags) will appear showing the list of 2492 2672 available powder patterns, you can copy the refinement flags to any or all of 2493 2673 them; select ‘All’ to copy them to all patterns. Then select 2494 2674 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2495 2675 2496 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2676 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2497 2677 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2498 2678 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2500 2680 Background function from the pull down tab.<o:p></o:p></span></p> 2501 2681 2502 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2682 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2503 2683 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2504 2684 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2506 2686 refine the background coefficients.<o:p></o:p></span></p> 2507 2687 2508 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2688 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2509 2689 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2510 2690 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2512 2692 background coefficients to be used (1-36).<o:p></o:p></span></p> 2513 2693 2514 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2694 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2515 2695 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2516 2696 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2519 2699 mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> 2520 2700 2521 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2701 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2522 2702 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2523 2703 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2528 2708 usually start with the ‘A’ coefficients.<o:p></o:p></span></p> 2529 2709 2530 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 17level1 lfo7'><![if !supportLists]><span2710 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span 2531 2711 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span 2532 2712 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2545 2725 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2546 2726 2547 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 7level1 lfo9'><![if !supportLists]><span2727 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span 2548 2728 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2549 2729 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2550 2730 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2551 style='mso-bidi-font-weight:normal'>Operations</b>’ – 2552 2553 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2554 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo10'><![if !supportLists]><span2731 style='mso-bidi-font-weight:normal'>Operations</b>’ –<o:p></o:p></span></p> 2732 2733 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2734 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2555 2735 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2736 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2737 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load 2738 profile… </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- 2739 loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>), 2740 replacing the existing instrument parameter values. All refinement flags are 2741 unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> 2742 2743 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2744 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2745 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2746 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2747 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save 2748 profile… - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves 2749 the current instrument parameter values in a simple text file (<span 2750 class=SpellE>name.instprm</span>); you will be prompted for the file name – 2751 do not change the extension. This file may be edited but heed the warning to 2752 not change the parameter names, the order of the parameter records or add new 2753 parameter records as this will invalidate the file. You may only change the 2754 numeric values if necessary. You can change or add comment records (begins with 2755 ‘#’).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> 2756 2757 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2758 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2759 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2556 2760 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2557 2761 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset 2558 2762 profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 2559 2763 resets the values for the instrument parameters to the default values shown in 2560 parentheses for each entry.< o:p></o:p></span></p>2561 2562 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2563 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo10'><![if !supportLists]><span2564 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'> b.<span2764 parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> 2765 2766 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2767 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2768 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2565 2769 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2566 2770 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2567 2771 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2568 instrument parameters shown to other selected powder patterns. If used, a dialog2569 box (Copy Parameters) will appear showing the list of available powder2772 instrument parameters shown to other selected powder patterns. If used, a 2773 dialog box (Copy parameters) will appear showing the list of available powder 2570 2774 patterns, you can copy the instrument parameters to any or all of them; select 2571 2775 ‘All’ to copy them to all patterns. Then select ‘OK’ to … … 2581 2785 2582 2786 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2583 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo10'><![if !supportLists]><span2584 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'> c.<span2787 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2788 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2585 2789 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2586 2790 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2587 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- –2588 this copies the instrument parameter refinement flags shown to other selected 2589 powder patterns. If used, a dialog box (Copy Refinement Flags) will appear 2590 showing the list of available powder patterns, you can copy the instrument 2591 parameter refinement flags to any or all of them; select ‘All’ to 2592 copy them to all patterns. Then select ‘OK’ to do the copy; 2593 ‘Cancel’ to cancel the operation. The copy will only work for 2594 instrument parameters that are commensurate with the one that is shown, e.g. 2595 s ingle radiation patterns will not be updated from K</span><sub><span2791 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- 2792 – this copies the instrument parameter refinement flags shown to other 2793 selected powder patterns. If used, a dialog box (Copy refinement flags) will 2794 appear showing the list of available powder patterns, you can copy the 2795 instrument parameter refinement flags to any or all of them; select 2796 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2797 do the copy; ‘Cancel’ to cancel the operation. The copy will only 2798 work for instrument parameters that are commensurate with the one that is 2799 shown, e.g. single radiation patterns will not be updated from K</span><sub><span 2596 2800 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span 2597 2801 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span … … 2602 2806 2603 2807 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2604 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo10'><![if !supportLists]><span2605 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'> d.<span2606 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b2808 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 2809 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2810 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2607 2811 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change 2608 2812 radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'> … … 2617 2821 laboratory tube source).<o:p></o:p></span></p> 2618 2822 2619 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 7level1 lfo9'><![if !supportLists]><span2823 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span 2620 2824 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2621 2825 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2623 2827 profile coefficients<o:p></o:p></span></p> 2624 2828 2625 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 7level1 lfo9'><![if !supportLists]><span2829 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span 2626 2830 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2627 2831 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2639 2843 2640 2844 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2641 window show the various sample dependent parameters for this powder pattern. The2642 presence of a refine button indicates which can be refined while others are2845 window show the various sample dependent parameters for this powder pattern. 2846 The presence of a refine button indicates which can be refined while others are 2643 2847 fixed. All values can be changed in this window.<o:p></o:p></span></p> 2644 2848 2645 <h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark: 2646 Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I 2647 do here?<o:p></o:p></span></span></a></h5> 2648 2649 <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2849 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 2850 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can 2851 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span 2852 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2853 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5> 2854 2855 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo24'><span 2856 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2857 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2858 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span 2859 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2860 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2861 normal;mso-bidi-font-weight:bold'>Menu ‘</span></span></span><span 2862 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2863 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File’</span></span></span><span 2864 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2865 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2866 normal;mso-bidi-font-weight:bold'> – <o:p></o:p></span></span></span></h5> 2867 2868 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto; 2869 text-indent:-.25in;mso-list:l6 level2 lfo24;tab-stops:list 1.0in'><span 2870 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2871 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2872 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2873 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 2874 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2875 style='mso-fareast-font-family:"Times New Roman"'> – this copies the sample 2876 parameters shown to other selected powder patterns. If used, a dialog box (Copy 2877 parameters) will appear showing the list of available powder patterns, you can 2878 copy the sample parameters to any or all of them; select ‘All’ to 2879 copy them to all patterns. Then select ‘OK’ to do the copy; 2880 ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> 2881 2882 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2883 text-indent:-.25in;mso-list:l6 level2 lfo24;tab-stops:list 1.0in'><span 2884 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2885 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2886 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2887 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2888 flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span 2889 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'> 2890 - – this copies the sample parameter refinement flags shown to other 2891 selected powder patterns. If used, a dialog box (Copy refinement flags) will 2892 appear showing the list of available powder patterns, you can copy the sample 2893 parameter refinement flags to any or all of them; select ‘All’ to 2894 copy them to all patterns. Then select ‘OK’ to do the copy; 2895 ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> 2896 2897 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2650 2898 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 2651 2899 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> … … 2656 2904 the GSASII Plots window as a sequence of ‘+’ marks.<o:p></o:p></span></p> 2657 2905 2658 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p>2659 2660 2906 <h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span 2661 2907 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What 2662 can I do here? <o:p></o:p></span></span></h5> 2663 2664 <h5><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: 2665 "Times New Roman"'><o:p> </o:p></span></span></h5> 2908 can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span 2909 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2910 normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5> 2911 2912 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span 2913 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 2914 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: 2915 bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2916 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; 2917 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu ‘</span></span><span 2918 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2919 color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span 2920 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2921 normal;mso-bidi-font-weight:bold'>’ – <o:p></o:p></span></span></h5> 2922 2923 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25; 2924 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2925 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2926 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span 2927 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2928 class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span 2929 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2930 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – resets peak 2931 parameters, background and instrument parameter values varied in the last peak 2932 fitting refinement back to their original values. Use this to recover from a 2933 failed refinement. Note: <span style='mso-spacerun:yes'> </span>there is 2934 only a single level of recovery available.<o:p></o:p></span></span></h5> 2935 2936 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25; 2937 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2938 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2939 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span 2940 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2941 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span 2942 class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span 2943 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2944 normal;mso-bidi-font-weight:bold'> – perform a least squares fit of the 2945 peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters, 2946 background parameters and instrument parameters with refine checked will be 2947 varied in this refinement. The refinement will proceed until convergence. We 2948 suggest you vary the intensity along with the background first (the default), 2949 then vary the position and instrument parameters after. The order will depend 2950 on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y 2951 & SH/L). To determine how to proceed, examine in detail the powder pattern 2952 difference curve displayed in the GSASII Plots window. If individual peaks show 2953 peak widths that are widely different, their individual sigma and gamma 2954 parameters may be refined. If the refinement results in negative peak 2955 coefficients, these will be highlighted in red. If this happens, you should </span></span><span 2956 style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family: 2957 "Times New Roman";color:windowtext'>UnDo</span></span></span><span 2958 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2959 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement 2960 and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5> 2961 2962 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25; 2963 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2964 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2965 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span 2966 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2967 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one 2968 cycle </span></span><span style='mso-bookmark:Index_Peaks'><span 2969 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2970 normal;mso-bidi-font-weight:bold'>– perform a single cycle of least 2971 squares refinement. This can be used in difficult cases to get a refinement 2972 started toward convergence.<o:p></o:p></span></span></h5> 2973 2974 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25; 2975 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2976 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2977 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span 2978 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2979 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig 2980 and <span class=SpellE>gam</span> </span></span><span style='mso-bookmark:Index_Peaks'><span 2981 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2982 normal;mso-bidi-font-weight:bold'>– this resets the values of sigma and 2983 gamma to those computed from the instrument parameters U, V, W, <span 2984 class=GramE>X</span> & Y.<o:p></o:p></span></span></h5> 2985 2986 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25; 2987 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2988 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2989 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span 2990 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2991 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span 2992 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2993 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>– this removes 2994 all the peaks from the Peak List.<o:p></o:p></span></span></h5> 2995 2996 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span 2997 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 2998 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: 2999 bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 3000 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; 3001 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add 3002 peaks to the Peak list using the mouse on the plot by: 1) position the pointer 3003 near to the top point on a peak, 2) press the left mouse button. The selected peak 3004 will be added to the Peak List in its correct sorted order and a blue vertical 3005 line will be plotted on that position. Be sure that the Zoom/Pan buttons are not 3006 selected on the Plot window. We recommend that you begin picking peaks from the 3007 right side of the pattern; that way the tool tip won’t be in your way as 3008 you select peaks.<o:p></o:p></span></span></h5> 3009 3010 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span 3011 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3012 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: 3013 bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> 3014 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; 3015 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a 3016 Peak List item using the mouse on the plot by: 1) position the pointer on the blue 3017 line for the peak you wish to move, 2) holding the left mouse button down, drag 3018 to the desired position & then release the button. The peak line will be 3019 drawn in the new position. Be sure that the Zoom/Pan buttons are not selected 3020 on the Plot window.<o:p></o:p></span></span></h5> 3021 3022 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo25'><span 3023 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3024 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> 3025 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 3026 can change individual peak coefficient values. Enter the value then press Enter 3027 or Tab or click the mouse elsewhere in the Peak List window. This will set the 3028 new value.<o:p></o:p></span></span></p> 3029 3030 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo25'><span 3031 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3032 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> 3033 </span></span></span><![endif]>You can change the refine flags either by 3034 clicking on the box or by selecting one and then selecting the column (a single 3035 click on the column heading; column should show in blue). Then type 3036 ‘y’ to set the refine flags or ‘n’ to clear the flags. </span><span 3037 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p> 3038 3039 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span 3040 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3041 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: 3042 bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> 3043 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; 3044 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete peaks 3045 in the Peak List by selecting rows (should appear in blue) and then pressing 3046 the Delete key. You can also delete peaks using the mouse on the plot by 3047 positioning the pointer on the blue line for the peak to be deleted and then 3048 pressing the right mouse button. The blue line should vanish and the 3049 corresponding peak will be removed from the Peak List. Be sure that the Zoom/Pan 3050 buttons are not selected on the Plot window.<o:p></o:p></span></span></h5> 2666 3051 2667 3052 <h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: … … 2682 3067 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2683 3068 2684 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 19level1 lfo11'><![if !supportLists]><span3069 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l23 level1 lfo11'><![if !supportLists]><span 2685 3070 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2686 3071 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2697 3082 table to the position shown here.<o:p></o:p></span></p> 2698 3083 2699 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 19level1 lfo11'><![if !supportLists]><span3084 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo11'><![if !supportLists]><span 2700 3085 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2701 3086 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2810 3195 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase 2811 3196 type – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this 2812 can only be set when there are no atoms in the Atoms page for this phase. 2813 Selectit when the phase is initialized.<u><o:p></o:p></u></span></p>3197 can only be set when there are no atoms in the Atoms page for this phase. Select 3198 it when the phase is initialized.<u><o:p></o:p></u></span></p> 2814 3199 2815 3200 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 2930 3315 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/> 2931 3316 </v:shape><![endif]--><![if !vml]><img width=335 height=19 2932 src="gsasII_files/image00 6.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span3317 src="gsasII_files/image007.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span 2933 3318 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p> 2934 3319 … … 2948 3333 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2949 3334 style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the 2950 Atoms page then the Elements table is shown next on the General page; you may select2951 the isotope (only relevant for neutron diffraction experiments). The density is 2952 computed depending on this choice, the unit cell volume and the atom3335 Atoms page then the Elements table is shown next on the General page; you may 3336 select the isotope (only relevant for neutron diffraction experiments). The 3337 density is computed depending on this choice, the unit cell volume and the atom 2953 3338 fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> 2954 3339 … … 2998 3383 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2999 3384 3000 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3385 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3001 3386 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3002 3387 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom 3003 3388 Selection from table: select individual atoms by a left click of the mouse when 3004 3389 pointed at the left most column (atom numbers) of the atom display; hold down 3005 the Ctrl key to add to your selection; a previously selected atom will be 3006 deselected. A selected atom will be highlighted (in grey) and the atom will be 3007 shown ingreen on the plot. Selection without the Ctrl key will clear previous3390 the Ctrl key to add to your selection; a previously selected atom will be deselected. 3391 A selected atom will be highlighted (in grey) and the atom will be shown in 3392 green on the plot. Selection without the Ctrl key will clear previous 3008 3393 selections. A double left click in the (empty) upper left box will select or 3009 3394 deselect all atoms.</p> 3010 3395 3011 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3396 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3012 3397 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3013 3398 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 3022 3407 anytime during the selection process.</p> 3023 3408 3024 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3409 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3025 3410 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3026 3411 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 3030 3415 those atoms to be selected.</p> 3031 3416 3032 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3417 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3033 3418 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3034 3419 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 3042 3427 aren’t rendered and thus the plot will not show any atoms or bonds!</p> 3043 3428 3044 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3429 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3045 3430 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 3046 3431 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3050 3435 3051 3436 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3052 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3437 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3053 3438 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3054 3439 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3057 3442 3058 3443 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3059 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3444 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3060 3445 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3061 3446 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3065 3450 3066 3451 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3067 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3452 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3068 3453 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3069 3454 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3071 3456 the atom; a color choice dialog is displayed that covers the entire color 3072 3457 spectrum. Choose a color by any of the means available, press the “Add to 3073 Custom Colors”, select that color in the Custom colors display and then 3074 pressOK.</p>3075 3076 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3077 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3458 Custom Colors”, select that color in the Custom colors display and then press 3459 OK.</p> 3460 3461 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3462 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3078 3463 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3079 3464 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3080 style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the atom3081 color back to their defaults for the selected atoms.</p>3082 3083 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3084 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3465 style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the 3466 atom color back to their defaults for the selected atoms.</p> 3467 3468 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3469 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3085 3470 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3086 3471 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3089 3474 3090 3475 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3091 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3476 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3092 3477 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3093 3478 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3099 3484 3100 3485 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3101 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3486 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3102 3487 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3103 3488 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3104 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a 3105 symmetry operator and unit cell translation to the set of selected atoms; they 3106 will bechanged in place. Any anisotropic thermal displacement parameters (<span3489 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a symmetry 3490 operator and unit cell translation to the set of selected atoms; they will be 3491 changed in place. Any anisotropic thermal displacement parameters (<span 3107 3492 class=SpellE>Uij</span>) will be transformed as appropriate.</p> 3108 3493 3109 3494 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3110 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3495 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3111 3496 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3112 3497 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3117 3502 3118 3503 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3119 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3504 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3120 3505 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3121 3506 style='font:7.0pt "Times New Roman"'> … … 3126 3511 3127 3512 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3128 auto;text-indent:-.25in;mso-list:l1 2level1 lfo14'><![if !supportLists]><span3513 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span 3129 3514 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3130 3515 style='font:7.0pt "Times New Roman"'> 3131 3516 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete 3132 3517 atoms</b> – clear the entire draw atom table; it is then refilled from 3133 the Atoms table. You should do this operation after any changes in the Atoms table,3134 e.g. by a structure refinement.</p>3135 3136 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8level1 lfo13'><![if !supportLists]><span3518 the Atoms table. You should do this operation after any changes in the Atoms 3519 table, e.g. by a structure refinement.</p> 3520 3521 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span 3137 3522 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 3138 3523 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3143 3528 3144 3529 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3145 auto;text-indent:-.25in;mso-list:l1 1level1 lfo15'><![if !supportLists]><span3530 auto;text-indent:-.25in;mso-list:l14 level1 lfo15'><![if !supportLists]><span 3146 3531 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3147 3532 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3158 3543 3159 3544 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3160 text-indent:-.25in;mso-list:l1 1level1 lfo15'><![if !supportLists]><span3545 text-indent:-.25in;mso-list:l14 level1 lfo15'><![if !supportLists]><span 3161 3546 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3162 3547 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3191 3576 3192 3577 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3193 auto;text-indent:-.25in;mso-list:l1 0level2 lfo17'><![if !supportLists]><span3578 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span 3194 3579 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3195 3580 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3203 3588 3204 3589 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3205 auto;text-indent:-.25in;mso-list:l1 0level2 lfo17'><![if !supportLists]><span3590 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span 3206 3591 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3207 3592 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3213 3598 3214 3599 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3215 auto;text-indent:-.25in;mso-list:l1 0level2 lfo17'><![if !supportLists]><span3600 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span 3216 3601 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3217 3602 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3316 3701 be displayed as a stack of powder patterns, just a single pattern or as a 3317 3702 contour image of the peak intensities. What can be done here will depend on 3318 which is displayed and on which item in the GSAS-II data tree you have 3319 selected.<o:p></o:p></span></p> 3703 which is displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p> 3320 3704 3321 3705 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 3353 3737 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3354 3738 class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b 3355 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot 3356 ofmultiple powder profiles, increase the offset to the left. Does not apply if3739 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of 3740 multiple powder profiles, increase the offset to the left. Does not apply if 3357 3741 only one pattern.</p> 3358 3742 … … 3398 3782 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3399 3783 class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b 3400 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple powder3401 p rofiles, then a contour plot is shown of the observed intensities. All data3402 sets must be the same length as the first one to be included in the contour 3403 plot.</p>3784 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple 3785 powder profiles, then a contour plot is shown of the observed intensities. All 3786 data sets must be the same length as the first one to be included in the 3787 contour plot.</p> 3404 3788 3405 3789 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 3495 3879 "Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span 3496 3880 style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span 3497 style='mso-fareast-font-family:"Times New Roman"'> – this turns off contouring3498 and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>3881 style='mso-fareast-font-family:"Times New Roman"'> – this turns off 3882 contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p> 3499 3883 3500 3884 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span … … 3532 3916 variance-covariance matrix as a color coded array is shown on this page. The 3533 3917 color bar to the right shows the range of <span class=SpellE>covariances</span> 3534 (-1 to 1) and corresponding colors. The parameter names are to the right and the3535 parameter numbers are below the plot.<o:p></o:p></span></p>3918 (-1 to 1) and corresponding colors. The parameter names are to the right and 3919 the parameter numbers are below the plot.<o:p></o:p></span></p> 3536 3920 3537 3921 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3538 3922 3539 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 6level1 lfo20'><![if !supportLists]><span3923 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span 3540 3924 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3541 3925 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move … … 3546 3930 status bar.</p> 3547 3931 3548 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo20'><![if !supportLists]><span3932 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span 3549 3933 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3550 3934 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use … … 3552 3936 matrix. </p> 3553 3937 3554 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 6level1 lfo20'><![if !supportLists]><span3938 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span 3555 3939 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3556 3940 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
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