Changeset 563 for trunk/help
- Timestamp:
- Apr 20, 2012 10:07:01 AM (10 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/help/gsasII.html
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1503 1461 mso-level-tab-stop:1.0in; … … 1508 1466 mso-ansi-font-weight:normal; 1509 1467 mso-ansi-font-style:normal;} 1468 @list l16:level3 1469 {mso-level-tab-stop:1.5in; 1470 mso-level-number-position:left; 1471 text-indent:-.25in;} 1472 @list l16:level4 1473 {mso-level-number-format:alpha-lower; 1474 mso-level-tab-stop:2.0in; 1475 mso-level-number-position:left; 1476 text-indent:-.25in;} 1477 @list l16:level5 1478 {mso-level-tab-stop:2.5in; 1479 mso-level-number-position:left; 1480 text-indent:-.25in;} 1481 @list l16:level6 1482 {mso-level-tab-stop:3.0in; 1483 mso-level-number-position:left; 1484 text-indent:-.25in;} 1485 @list l16:level7 1486 {mso-level-tab-stop:3.5in; 1487 mso-level-number-position:left; 1488 text-indent:-.25in;} 1489 @list l16:level8 1490 {mso-level-tab-stop:4.0in; 1491 mso-level-number-position:left; 1492 text-indent:-.25in;} 1493 @list l16:level9 1494 {mso-level-tab-stop:4.5in; 1495 mso-level-number-position:left; 1496 text-indent:-.25in;} 1497 @list l17 1498 {mso-list-id:1602683002; 1499 mso-list-type:hybrid; 1500 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1501 @list l17:level1 1502 {mso-level-tab-stop:none; 1503 mso-level-number-position:left; 1504 text-indent:-.25in;} 1505 @list l17:level2 1506 {mso-level-number-format:alpha-lower; 1507 mso-level-tab-stop:none; 1508 mso-level-number-position:left; 1509 text-indent:-.25in;} 1510 1510 @list l17:level3 1511 1511 {mso-level-tab-stop:1.5in; … … 1513 1513 text-indent:-.25in;} 1514 1514 @list l17:level4 1515 {mso-level-number-format:alpha-lower; 1516 mso-level-tab-stop:2.0in; 1515 {mso-level-tab-stop:2.0in; 1517 1516 mso-level-number-position:left; 1518 1517 text-indent:-.25in;} … … 1538 1537 text-indent:-.25in;} 1539 1538 @list l18 1540 {mso-list-id:1 453328047;1539 {mso-list-id:1669404025; 1541 1540 mso-list-type:hybrid; 1542 mso-list-template-ids: 768896778 -75665118267698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1541 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1543 1542 @list l18:level1 1544 1543 {mso-level-number-format:alpha-lower; … … 1553 1552 text-indent:-.25in;} 1554 1553 @list l18:level3 1555 {mso-level-tab-stop:1.5in; 1556 mso-level-number-position:left; 1554 {mso-level-tab-stop:112.5pt; 1555 mso-level-number-position:left; 1556 margin-left:112.5pt; 1557 1557 text-indent:-.25in;} 1558 1558 @list l18:level4 … … 1581 1581 text-indent:-.25in;} 1582 1582 @list l19 1583 {mso-list-id:1602683002; 1584 mso-list-type:hybrid; 1585 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1583 {mso-list-id:1753089587; 1584 mso-list-template-ids:1555050902;} 1586 1585 @list l19:level1 1587 1586 {mso-level-tab-stop:none; … … 1589 1588 text-indent:-.25in;} 1590 1589 @list l19:level2 1591 {mso-level-number-format:alpha-lower; 1592 mso-level-tab-stop:none; 1590 {mso-level-tab-stop:1.0in; 1593 1591 mso-level-number-position:left; 1594 1592 text-indent:-.25in;} … … 1622 1620 text-indent:-.25in;} 1623 1621 @list l20 1624 {mso-list-id:1669404025; 1625 mso-list-type:hybrid; 1626 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1622 {mso-list-id:2029942403; 1623 mso-list-template-ids:1555050902;} 1627 1624 @list l20:level1 1628 {mso-level-number-format:alpha-lower; 1629 mso-level-tab-stop:none; 1630 mso-level-number-position:left; 1631 margin-left:1.0in; 1632 text-indent:-.25in; 1633 mso-ansi-font-weight:normal;} 1625 {mso-level-tab-stop:none; 1626 mso-level-number-position:left; 1627 text-indent:-.25in;} 1634 1628 @list l20:level2 1635 1629 {mso-level-tab-stop:1.0in; … … 1637 1631 text-indent:-.25in;} 1638 1632 @list l20:level3 1639 {mso-level-tab-stop:112.5pt; 1640 mso-level-number-position:left; 1641 margin-left:112.5pt; 1633 {mso-level-tab-stop:1.5in; 1634 mso-level-number-position:left; 1642 1635 text-indent:-.25in;} 1643 1636 @list l20:level4 … … 1666 1659 text-indent:-.25in;} 1667 1660 @list l21 1668 {mso-list-id:1753089587;1669 mso-list-template-ids:1555050902;}1670 @list l21:level11671 {mso-level-tab-stop:none;1672 mso-level-number-position:left;1673 text-indent:-.25in;}1674 @list l21:level21675 {mso-level-tab-stop:1.0in;1676 mso-level-number-position:left;1677 text-indent:-.25in;}1678 @list l21:level31679 {mso-level-tab-stop:1.5in;1680 mso-level-number-position:left;1681 text-indent:-.25in;}1682 @list l21:level41683 {mso-level-tab-stop:2.0in;1684 mso-level-number-position:left;1685 text-indent:-.25in;}1686 @list l21:level51687 {mso-level-tab-stop:2.5in;1688 mso-level-number-position:left;1689 text-indent:-.25in;}1690 @list l21:level61691 {mso-level-tab-stop:3.0in;1692 mso-level-number-position:left;1693 text-indent:-.25in;}1694 @list l21:level71695 {mso-level-tab-stop:3.5in;1696 mso-level-number-position:left;1697 text-indent:-.25in;}1698 @list l21:level81699 {mso-level-tab-stop:4.0in;1700 mso-level-number-position:left;1701 text-indent:-.25in;}1702 @list l21:level91703 {mso-level-tab-stop:4.5in;1704 mso-level-number-position:left;1705 text-indent:-.25in;}1706 @list l221707 {mso-list-id:2029942403;1708 mso-list-template-ids:1555050902;}1709 @list l22:level11710 {mso-level-tab-stop:none;1711 mso-level-number-position:left;1712 text-indent:-.25in;}1713 @list l22:level21714 {mso-level-tab-stop:1.0in;1715 mso-level-number-position:left;1716 text-indent:-.25in;}1717 @list l22:level31718 {mso-level-tab-stop:1.5in;1719 mso-level-number-position:left;1720 text-indent:-.25in;}1721 @list l22:level41722 {mso-level-tab-stop:2.0in;1723 mso-level-number-position:left;1724 text-indent:-.25in;}1725 @list l22:level51726 {mso-level-tab-stop:2.5in;1727 mso-level-number-position:left;1728 text-indent:-.25in;}1729 @list l22:level61730 {mso-level-tab-stop:3.0in;1731 mso-level-number-position:left;1732 text-indent:-.25in;}1733 @list l22:level71734 {mso-level-tab-stop:3.5in;1735 mso-level-number-position:left;1736 text-indent:-.25in;}1737 @list l22:level81738 {mso-level-tab-stop:4.0in;1739 mso-level-number-position:left;1740 text-indent:-.25in;}1741 @list l22:level91742 {mso-level-tab-stop:4.5in;1743 mso-level-number-position:left;1744 text-indent:-.25in;}1745 @list l231746 1661 {mso-list-id:2095858496; 1747 1662 mso-list-type:hybrid; 1748 1663 mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1749 @list l2 3:level11664 @list l21:level1 1750 1665 {mso-level-tab-stop:none; 1751 1666 mso-level-number-position:left; 1752 1667 text-indent:-.25in;} 1753 @list l2 3:level21668 @list l21:level2 1754 1669 {mso-level-tab-stop:1.0in; 1755 1670 mso-level-number-position:left; 1756 1671 text-indent:-.25in;} 1757 @list l2 3:level31672 @list l21:level3 1758 1673 {mso-level-tab-stop:1.5in; 1759 1674 mso-level-number-position:left; 1760 1675 text-indent:-.25in;} 1761 @list l2 3:level41676 @list l21:level4 1762 1677 {mso-level-tab-stop:2.0in; 1763 1678 mso-level-number-position:left; 1764 1679 text-indent:-.25in;} 1765 @list l2 3:level51680 @list l21:level5 1766 1681 {mso-level-tab-stop:2.5in; 1767 1682 mso-level-number-position:left; 1768 1683 text-indent:-.25in;} 1769 @list l2 3:level61684 @list l21:level6 1770 1685 {mso-level-tab-stop:3.0in; 1771 1686 mso-level-number-position:left; 1772 1687 text-indent:-.25in;} 1773 @list l2 3:level71688 @list l21:level7 1774 1689 {mso-level-tab-stop:3.5in; 1775 1690 mso-level-number-position:left; 1776 1691 text-indent:-.25in;} 1777 @list l2 3:level81692 @list l21:level8 1778 1693 {mso-level-tab-stop:4.0in; 1779 1694 mso-level-number-position:left; 1780 1695 text-indent:-.25in;} 1781 @list l23:level9 1696 @list l21:level9 1697 {mso-level-tab-stop:4.5in; 1698 mso-level-number-position:left; 1699 text-indent:-.25in;} 1700 @list l22 1701 {mso-list-id:2114591880; 1702 mso-list-template-ids:-445226636;} 1703 @list l22:level1 1704 {mso-level-tab-stop:none; 1705 mso-level-number-position:left; 1706 text-indent:-.25in;} 1707 @list l22:level2 1708 {mso-level-number-format:alpha-lower; 1709 mso-level-tab-stop:1.0in; 1710 mso-level-number-position:left; 1711 text-indent:-.25in;} 1712 @list l22:level3 1713 {mso-level-tab-stop:1.5in; 1714 mso-level-number-position:left; 1715 text-indent:-.25in;} 1716 @list l22:level4 1717 {mso-level-number-format:alpha-lower; 1718 mso-level-tab-stop:2.0in; 1719 mso-level-number-position:left; 1720 text-indent:-.25in;} 1721 @list l22:level5 1722 {mso-level-tab-stop:2.5in; 1723 mso-level-number-position:left; 1724 text-indent:-.25in;} 1725 @list l22:level6 1726 {mso-level-tab-stop:3.0in; 1727 mso-level-number-position:left; 1728 text-indent:-.25in;} 1729 @list l22:level7 1730 {mso-level-tab-stop:3.5in; 1731 mso-level-number-position:left; 1732 text-indent:-.25in;} 1733 @list l22:level8 1734 {mso-level-tab-stop:4.0in; 1735 mso-level-number-position:left; 1736 text-indent:-.25in;} 1737 @list l22:level9 1782 1738 {mso-level-tab-stop:4.5in; 1783 1739 mso-level-number-position:left; … … 1798 1754 mso-style-noshow:yes; 1799 1755 mso-style-priority:99; 1800 mso-style-qformat:yes;1801 1756 mso-style-parent:""; 1802 1757 mso-padding-alt:0in 5.4pt 0in 5.4pt; … … 1810 1765 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1811 1766 <!--[if gte mso 9]><xml> 1812 <o:shapedefaults v:ext="edit" spidmax="1 6386"/>1767 <o:shapedefaults v:ext="edit" spidmax="1027"/> 1813 1768 </xml><![endif]--><!--[if gte mso 9]><xml> 1814 1769 <o:shapelayout v:ext="edit"> … … 1841 1796 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1842 1797 <o:lock v:ext="edit" aspectratio="t"/> 1843 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1045" type="#_x0000_t75" 1844 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1845 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; 1798 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75" 1799 alt="Description: GSAS-II logo" style='position:absolute;margin-left:44.8pt; 1800 margin-top:0;width:96pt;height:96pt;z-index:251657728;visibility:visible; 1801 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0; 1846 1802 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0; 1847 1803 mso-wrap-distance-bottom:0;mso-position-horizontal:right; 1848 1804 mso-position-horizontal-relative:text;mso-position-vertical:absolute; 1849 mso-position-vertical-relative:line' o:allowoverlap="f"> 1805 mso-position-vertical-relative:line;mso-width-percent:0;mso-height-percent:0; 1806 mso-width-relative:page;mso-height-relative:page' o:allowoverlap="f"> 1850 1807 <v:imagedata src="gsas2logo.png"/> 1851 1808 <w:wrap type="square" anchory="line"/> 1852 1809 </v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png 1853 align=right alt=" GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span1810 align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span 1854 1811 style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1> 1855 1812 … … 1897 1854 as outlined below: <o:p></o:p></span></p> 1898 1855 1899 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 2level1 lfo1'><![if !supportLists]><span1856 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span 1900 1857 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1901 1858 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1903 1860 1904 1861 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1905 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1862 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1906 1863 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1907 1864 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1916 1873 1917 1874 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1918 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1875 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1919 1876 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1920 1877 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1927 1884 1928 1885 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1929 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1886 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1930 1887 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1931 1888 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1937 1894 1938 1895 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1939 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1896 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1940 1897 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1941 1898 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1946 1903 1947 1904 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1948 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1905 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1949 1906 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1950 1907 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1952 1909 style='mso-fareast-font-family:"Times New Roman"'> – Exit the GSAS-II 1953 1910 program; if there is a current project you will be asked if you want to save it 1954 first. Pressing the red X in the upper right (Windows) also exits (no save 1955 option)GSAS-II; useful for escaping from GSAS-II if needed.</span></p>1956 1957 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 2level1 lfo1'><![if !supportLists]><span1911 first. Pressing the red X in the upper right (Windows) also exits (no save option) 1912 GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1913 1914 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span 1958 1915 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1959 1916 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1961 1918 1962 1919 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1963 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1920 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1964 1921 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1965 1922 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1975 1932 1976 1933 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1977 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1934 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1978 1935 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1979 1936 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1988 1945 1989 1946 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1990 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1947 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 1991 1948 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1992 1949 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1997 1954 1998 1955 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1999 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1956 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2000 1957 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2001 1958 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2003 1960 2004 1961 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2005 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1962 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2006 1963 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2007 1964 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2009 1966 2010 1967 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2011 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1968 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2012 1969 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2013 1970 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2015 1972 2016 1973 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2017 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1974 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2018 1975 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 2019 1976 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2028 1985 2029 1986 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2030 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1987 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2031 1988 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 2032 1989 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2036 1993 2037 1994 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2038 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span1995 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2039 1996 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 2040 1997 style='font:7.0pt "Times New Roman"'> … … 2043 2000 2044 2001 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2045 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2002 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2046 2003 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 2047 2004 style='font:7.0pt "Times New Roman"'> … … 2050 2007 a list of choices is presented.</p> 2051 2008 2052 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 2level1 lfo1'><![if !supportLists]><span2009 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span 2053 2010 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2054 2011 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2056 2013 2057 2014 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2058 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2015 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2059 2016 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2060 2017 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2066 2023 2067 2024 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2068 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2025 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2069 2026 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2070 2027 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2085 2042 2086 2043 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2087 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2044 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2088 2045 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2089 2046 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2090 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the refinement2091 (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:l1 2level2 lfo1'><![if !supportLists]><span2047 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the 2048 refinement (Pawley/Rietveld or single crystal) according to the controls set in 2049 the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> 2050 data tree item.</p> 2051 2052 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2053 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2097 2054 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2098 2055 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2101 2058 normal'><a href="#Controls">Controls</a></b> data tree item.</p> 2102 2059 2103 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 2level1 lfo1'><![if !supportLists]><span2060 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span 2104 2061 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2105 2062 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2107 2064 2108 2065 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2109 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2066 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2110 2067 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2111 2068 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2113 2070 2114 2071 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 2115 auto;text-indent:-.25in;mso-list:l1 2level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2072 auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 2116 2073 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2117 2074 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2126 2083 2127 2084 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 2128 auto;text-indent:-.25in;mso-list:l1 2level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2085 auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 2129 2086 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2130 2087 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2133 2090 name.ENT). The file name is found in a directory dialog; you can change 2134 2091 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 follows2136 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>2092 the space group symbol on the ‘CRYST1’ record in the PDB file 2093 follows the GSAS-II conventions (e.g. with spaces between axial fields). A 2094 dialog box is shown with the proposed phase name. You can change it if desired.</p> 2138 2095 2139 2096 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 2140 auto;text-indent:-.25in;mso-list:l1 2level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2097 auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 2141 2098 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2142 2099 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2151 2108 2152 2109 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 2153 auto;text-indent:-.25in;mso-list:l1 2level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2110 auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 2154 2111 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2155 2112 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2165 2122 2166 2123 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2167 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2124 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2168 2125 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2169 2126 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2171 2128 2172 2129 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2173 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2130 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2174 2131 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2175 2132 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2176 2133 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 2177 2134 2178 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 2level1 lfo1'><![if !supportLists]><span2135 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span 2179 2136 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2180 2137 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2182 2139 2183 2140 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2184 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2141 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2185 2142 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2186 2143 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2188 2145 2189 2146 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2190 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2147 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2191 2148 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2192 2149 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2194 2151 2195 2152 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2196 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2153 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2197 2154 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2198 2155 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2200 2157 2201 2158 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2202 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2159 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2203 2160 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2204 2161 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2206 2163 2207 2164 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2208 auto;text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2165 auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2209 2166 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2210 2167 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2212 2169 2213 2170 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2214 text-indent:-.25in;mso-list:l1 2level2 lfo1'><![if !supportLists]><span2171 text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span 2215 2172 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2216 2173 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2278 2235 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2279 2236 2280 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 6level1 lfo2'><![if !supportLists]><span2237 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2281 2238 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2282 2239 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2283 2240 style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement 2284 2241 uses ‘analytic <span class=SpellE>Jacobian</span>’, ‘analytic 2285 Hessian’ or ‘numeric’ derivatives. The last is slower and perhaps2286 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 ‘analytic2242 Hessian’ or ‘numeric’ derivatives. The last is slower and 2243 perhaps a bit less accurate, but may be needed if the analytic functions are 2244 not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N 2245 x M (parameters x observations) and is much larger than the Hessian matrix 2246 which is shaped M x M (parameters x parameters). Generally use ‘analytic 2290 2247 Hessian’ for routine work.<o:p></o:p></span></p> 2291 2248 2292 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6level1 lfo2'><![if !supportLists]><span2249 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2293 2250 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2294 2251 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2300 2257 to 1.0.<o:p></o:p></span></p> 2301 2258 2302 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6level1 lfo2'><![if !supportLists]><span2259 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2303 2260 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2304 2261 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2307 2264 the first cycle of refinement. This value is modified by the least squares 2308 2265 routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be 2309 needed if your initial <span class=GramE>refinement</span> trials immediately 2310 diverge, however make sure your starting parameter values are 2311 ‘reasonable’. The selected default (=1.0) normally gives good 2312 performance.<o:p></o:p></span></p> 2313 2314 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span 2266 needed if your initial <span class=GramE>refinement</span> trials immediately diverge, 2267 however make sure your starting parameter values are ‘reasonable’. 2268 The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p> 2269 2270 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2315 2271 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2316 2272 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2324 2280 cycles.<o:p></o:p></span></p> 2325 2281 2326 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 6level1 lfo2'><![if !supportLists]><span2282 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2327 2283 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2328 2284 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2355 2311 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2356 2312 2357 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 9level1 lfo3'><![if !supportLists]><span2313 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span 2358 2314 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2359 2315 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2362 2318 the ‘Edit menu.<o:p></o:p></span></p> 2363 2319 2364 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9level1 lfo3'><![if !supportLists]><span2320 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span 2365 2321 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2366 2322 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2369 2325 2370 2326 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2371 auto;text-indent:-.25in;mso-list:l1 9level2 lfo3'><![if !supportLists]><span2327 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2372 2328 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2373 2329 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2379 2335 selected as a group for refinement. For example, if the space group for a phase 2380 2336 has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter 2381 is arbitrary and should be selected for a Hold to keep the structure from drifting2382 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 i t, Cancel will cancel the operation. The held parameter will be shown in the2385 constraint window with the keyword ‘FIXED’. A Delete button can be2386 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:l1 9level2 lfo3'><![if !supportLists]><span2337 is arbitrary and should be selected for a Hold to keep the structure from 2338 drifting up or down the y-axis during refinement. If selected, a dialog box 2339 will appear showing the list of available parameters; select one and then OK to 2340 implement it, Cancel will cancel the operation. The held parameter will be 2341 shown in the constraint window with the keyword ‘FIXED’. A Delete 2342 button can be used to remove it.<o:p></o:p></span></p> 2343 2344 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2345 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2390 2346 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2391 2347 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2406 2362 2407 2363 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2408 auto;text-indent:-.25in;mso-list:l1 9level2 lfo3'><![if !supportLists]><span2364 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2409 2365 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2410 2366 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2424 2380 2425 2381 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2426 text-indent:-.25in;mso-list:l1 9level2 lfo3'><![if !supportLists]><span2382 text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2427 2383 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2428 2384 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2453 2409 ‘p<span class=GramE>:h:name:n’</span> where p is the phase number, 2454 2410 h is the histogram number, name is the parameter name, and num (if needed) is 2455 the item number (e.g. atom number). The rows are the data sets used in the sequential2456 refinement.</p>2411 the item number (e.g. atom number). The rows are the data sets used in the 2412 sequential refinement.</p> 2457 2413 2458 2414 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 2474 2430 a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a 2475 2431 href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data 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 thedata set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>2432 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety 2433 of subcategories in the tree are shown. The items that are shown depend on the 2434 data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2479 2435 2480 2436 <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span 2481 2437 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2482 2438 2483 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 2level1 lfo4'><span2439 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span 2484 2440 style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family: 2485 2441 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> … … 2488 2444 2489 2445 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2490 text-indent:-.25in;mso-list:l 20level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span2446 text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span 2491 2447 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2492 2448 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2509 2465 whatever comment lines (preceded by “#”) found when the powder data 2510 2466 file was read by GSAS-II. If you are lucky, there will be useful information 2511 here (e.g. sample name, date collected, wavelength used, etc.). If not, this 2512 wi ndow will be blank. The text is read-only in that anything you try to enter2513 here isnot saved.</span></p>2467 here (e.g. sample name, date collected, wavelength used, etc.). If not, this window 2468 will be blank. The text is read-only in that anything you try to enter here is 2469 not saved.</span></p> 2514 2470 2515 2471 <span style='mso-bookmark:Comments'></span> … … 2570 2526 2571 2527 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2572 window shows the choice of background functions and coefficients to be used in fitting2573 this powder pattern. There are three types of contributions available for the2574 background:<o:p></o:p></span></p>2528 window shows the choice of background functions and coefficients to be used in 2529 fitting this powder pattern. There are three types of contributions available 2530 for the background:<o:p></o:p></span></p> 2575 2531 2576 2532 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). … … 2590 2546 "Times New Roman"'><span style='mso-tab-count:1'> </span></span><!--[if gte msEquation 12]><m:oMath><i 2591 2547 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 2548 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span 2594 2549 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2595 2550 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 2635 2590 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). 2636 2591 A set of individual Bragg peaks using the pseudo-Voigt profile function as 2637 their shapes. Their parameters are ‘pos’, ’<span 2638 class=SpellE>int</span>’, ‘sig’ & ‘<span 2639 class=SpellE>gam</span>’; each can be selected for refinement. The 2640 default values for sig & <span class=SpellE>gam</span> (=0.10) are for very 2641 sharp peaks, you may adjust them accordingly to the kind of peak you are trying 2642 to fit before trying to refine them.<o:p></o:p></span></p> 2592 their shapes. Their parameters are ‘<span class=SpellE>pos</span>’, 2593 ’<span class=SpellE>int</span>’, ‘sig’ & 2594 ‘gam’; each can be selected for refinement. The default values for 2595 sig & gam (=0.10) are for very sharp peaks, you may adjust them accordingly 2596 to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p> 2643 2597 2644 2598 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2645 2599 2646 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2600 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2647 2601 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2648 2602 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2669 2623 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 2670 2624 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 2672 available powder patterns, you can copy the refinement flags to any or all of 2673 them;select ‘All’ to copy them to all patterns. Then select2625 If used, a dialog box (Copy Refinement Flags) will appear showing the list of available 2626 powder patterns, you can copy the refinement flags to any or all of them; 2627 select ‘All’ to copy them to all patterns. Then select 2674 2628 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2675 2629 2676 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2630 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2677 2631 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2678 2632 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2680 2634 Background function from the pull down tab.<o:p></o:p></span></p> 2681 2635 2682 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2636 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2683 2637 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2684 2638 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2686 2640 refine the background coefficients.<o:p></o:p></span></p> 2687 2641 2688 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2642 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2689 2643 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2690 2644 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2692 2646 background coefficients to be used (1-36).<o:p></o:p></span></p> 2693 2647 2694 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2648 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2695 2649 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2696 2650 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2699 2653 mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> 2700 2654 2701 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2655 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2702 2656 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2703 2657 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2704 2658 style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more 2705 2659 Debye scattering terms into the background. For each one you should enter a 2706 sensible value for ‘R’ – an expected <span class=SpellE>interatomic</span>2707 distance in an amorphous phase is appropriate. Select parameters to refine; 2708 usually startwith the ‘A’ coefficients.<o:p></o:p></span></p>2709 2710 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 21level1 lfo7'><![if !supportLists]><span2660 sensible value for ‘R’ – an expected interatomic distance in 2661 an amorphous phase is appropriate. Select parameters to refine; usually start 2662 with the ‘A’ coefficients.<o:p></o:p></span></p> 2663 2664 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span 2711 2665 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span 2712 2666 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2725 2679 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2726 2680 2727 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 9level1 lfo9'><![if !supportLists]><span2681 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span 2728 2682 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2729 2683 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2732 2686 2733 2687 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2734 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2688 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2735 2689 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2736 2690 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2742 2696 2743 2697 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2744 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2698 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2745 2699 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2746 2700 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2748 2702 profile… - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves 2749 2703 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 the2704 class=SpellE>name.instprm</span>); you will be prompted for the file name 2705 – do not change the extension. This file may be edited but heed the warning 2706 to not change the parameter names, the order of the parameter records or add 2707 new parameter records as this will invalidate the file. You may only change the 2754 2708 numeric values if necessary. You can change or add comment records (begins with 2755 2709 ‘#’).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> 2756 2710 2757 2711 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2758 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2712 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2759 2713 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2760 2714 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2765 2719 2766 2720 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2767 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2721 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2768 2722 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2769 2723 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2785 2739 2786 2740 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2787 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2741 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2788 2742 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2789 2743 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2790 2744 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2791 2745 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 s hown, e.g. single radiation patterns will not be updated from K</span><sub><span2746 – this copies the instrument parameter refinement flags shown to other selected 2747 powder patterns. If used, a dialog box (Copy refinement flags) will appear 2748 showing the list of available powder patterns, you can copy the instrument 2749 parameter refinement flags to any or all of them; select ‘All’ to 2750 copy them to all patterns. Then select ‘OK’ to do the copy; 2751 ‘Cancel’ to cancel the operation. The copy will only work for 2752 instrument parameters that are commensurate with the one that is shown, e.g. 2753 single radiation patterns will not be updated from K</span><sub><span 2800 2754 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span 2801 2755 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span … … 2806 2760 2807 2761 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2808 auto;text-indent:-.25in;mso-list:l1 7 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span2762 auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span 2809 2763 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2810 2764 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2821 2775 laboratory tube source).<o:p></o:p></span></p> 2822 2776 2823 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo9'><![if !supportLists]><span2777 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span 2824 2778 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2825 2779 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2827 2781 profile coefficients<o:p></o:p></span></p> 2828 2782 2829 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 9level1 lfo9'><![if !supportLists]><span2783 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span 2830 2784 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2831 2785 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2847 2801 fixed. All values can be changed in this window.<o:p></o:p></span></p> 2848 2802 2849 <h5><a name="P owder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:2850 P owder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can2851 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span2852 style='mso-bookmark:P owder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";2803 <h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark: 2804 Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I 2805 do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span 2806 style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"; 2853 2807 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5> 2854 2808 2855 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo 24'><span2856 style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span2809 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span 2810 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span 2857 2811 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2858 2812 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span … … 2860 2814 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2861 2815 normal;mso-bidi-font-weight:bold'>Menu ‘</span></span></span><span 2862 style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><span2816 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2863 2817 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File’</span></span></span><span 2864 style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><span2818 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2865 2819 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2866 2820 normal;mso-bidi-font-weight:bold'> – <o:p></o:p></span></span></span></h5> 2867 2821 2868 2822 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto; 2869 text-indent:-.25in;mso-list:l6 level2 lfo 24;tab-stops:list 1.0in'><span2870 style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span2823 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 2824 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span 2871 2825 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2872 2826 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2873 2827 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:P eak_List'><span style='mso-bookmark:Powder_Peaks'><span2875 style='mso-fareast-font-family:"Times New Roman"'> – this copies the sample2876 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>2828 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2829 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2830 sample parameters shown to other selected powder patterns. If used, a dialog 2831 box (Copy parameters) will appear showing the list of available powder 2832 patterns, you can copy the sample parameters to any or all of them; select 2833 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2834 do the copy; ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> 2881 2835 2882 2836 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2883 text-indent:-.25in;mso-list:l6 level2 lfo 24;tab-stops:list 1.0in'><span2884 style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span2837 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 2838 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span 2885 2839 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2886 2840 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2887 2841 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:P eak_List'><span2889 style='mso-bookmark:P owder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>2842 flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span 2843 style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'> 2890 2844 - – this copies the sample parameter refinement flags shown to other 2891 2845 selected powder patterns. If used, a dialog box (Copy refinement flags) will … … 2895 2849 ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> 2896 2850 2897 <h4><span style='mso-bookmark:P eak_List'><span style='mso-bookmark:Powder_Peaks'><span2851 <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2898 2852 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 2899 2853 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> … … 2910 2864 normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5> 2911 2865 2912 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l 10 level1 lfo25'><span2866 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span 2913 2867 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 2914 2868 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: … … 2921 2875 normal;mso-bidi-font-weight:bold'>’ – <o:p></o:p></span></span></h5> 2922 2876 2923 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l 10 level2 lfo25;2877 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; 2924 2878 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2925 2879 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: … … 2928 2882 class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span 2929 2883 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 peak2931 p arameters, background and instrument parameter values varied in the last peak2932 fitting refinement back to their original values. Use this to recover from a 2933 failed refinement. Note: <span style='mso-spacerun:yes'> </span>there is2884 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – resets 2885 peak parameters, background and instrument parameter values varied in the last 2886 peak fitting refinement back to their original values. Use this to recover from 2887 a failed refinement. Note:<span style='mso-spacerun:yes'> </span>there is 2934 2888 only a single level of recovery available.<o:p></o:p></span></span></h5> 2935 2889 2936 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l 10 level2 lfo25;2890 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; 2937 2891 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2938 2892 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: … … 2960 2914 and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5> 2961 2915 2962 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l 10 level2 lfo25;2916 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; 2963 2917 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2964 2918 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: … … 2972 2926 started toward convergence.<o:p></o:p></span></span></h5> 2973 2927 2974 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l 10 level2 lfo25;2928 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; 2975 2929 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2976 2930 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: … … 2978 2932 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2979 2933 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'><span2934 and gam </span></span><span style='mso-bookmark:Index_Peaks'><span 2981 2935 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2982 2936 normal;mso-bidi-font-weight:bold'>– this resets the values of sigma and … … 2984 2938 class=GramE>X</span> & Y.<o:p></o:p></span></span></h5> 2985 2939 2986 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l 10 level2 lfo25;2940 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; 2987 2941 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span 2988 2942 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: … … 2991 2945 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span 2992 2946 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 removes2994 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:l 10 level1 lfo25'><span2947 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>– this 2948 removes all the peaks from the Peak List.<o:p></o:p></span></span></h5> 2949 2950 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span 2997 2951 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 2998 2952 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: … … 3001 2955 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add 3002 2956 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 peak3004 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:l 10 level1 lfo25'><span2957 near to the top point on a peak, 2) press the left mouse button. The selected 2958 peak will be added to the Peak List in its correct sorted order and a blue 2959 vertical line will be plotted on that position. Be sure that the Zoom/Pan 2960 buttons are not selected on the Plot window. We recommend that you begin 2961 picking peaks from the right side of the pattern; that way the tool tip 2962 won’t be in your way as you select peaks.<o:p></o:p></span></span></h5> 2963 2964 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span 3011 2965 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3012 2966 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: … … 3014 2968 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; 3015 2969 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 blue3017 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:l 10 level1 lfo25'><span2970 Peak List item using the mouse on the plot by: 1) position the pointer on the 2971 blue line for the peak you wish to move, 2) holding the left mouse button down, 2972 drag to the desired position & then release the button. The peak line will 2973 be drawn in the new position. Be sure that the Zoom/Pan buttons are not 2974 selected on the Plot window.<o:p></o:p></span></span></h5> 2975 2976 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span 3023 2977 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3024 2978 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> … … 3028 2982 new value.<o:p></o:p></span></span></p> 3029 2983 3030 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 10 level1 lfo25'><span2984 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span 3031 2985 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3032 2986 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> … … 3037 2991 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p> 3038 2992 3039 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l 10 level1 lfo25'><span2993 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span 3040 2994 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: 3041 2995 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: 3042 2996 bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> 3043 2997 </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 peaks3045 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 then2998 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete 2999 peaks in the Peak List by selecting rows (should appear in blue) and then 3000 pressing the Delete key. You can also delete peaks using the mouse on the plot 3001 by positioning the pointer on the blue line for the peak to be deleted and then 3048 3002 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/Pan3050 buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>3003 corresponding peak will be removed from the Peak List. Be sure that the 3004 Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5> 3051 3005 3052 3006 <h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: … … 3067 3021 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3068 3022 3069 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 3 level1 lfo11'><![if !supportLists]><span3023 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span 3070 3024 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3071 3025 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3082 3036 table to the position shown here.<o:p></o:p></span></p> 3083 3037 3084 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 3 level1 lfo11'><![if !supportLists]><span3038 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span 3085 3039 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3086 3040 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3087 3041 style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual 3088 peaks from indexing by <span class=SpellE>unchecking</span> the corresponding 3089 ‘use’ box.<o:p></o:p></span></p> 3042 peaks from indexing by unchecking the corresponding ‘use’ box.<o:p></o:p></span></p> 3090 3043 3091 3044 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span … … 3158 3111 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3159 3112 3160 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo1 2'><![if !supportLists]><span3113 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span 3161 3114 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3162 3115 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3166 3119 3167 3120 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3168 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3121 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3169 3122 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3170 3123 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3173 3126 compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p> 3174 3127 3175 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span 3128 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3129 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3130 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3131 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3132 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search 3133 maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 3134 search the computed Fourier map. Peaks that are above ‘Peak cutoff’ 3135 % of the maximum will be found in this procedure; they will be printed on the 3136 console and will be shown in the ‘<a href="gsasII.html">Map peaks</a>’ 3137 page. This page will immediately be shown and the peaks will be shown on the structure 3138 drawing for this phase as white 3-D crosses.<o:p></o:p></span></p> 3139 3140 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span 3176 3141 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3177 3142 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3181 3146 3182 3147 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3183 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3148 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3184 3149 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3185 3150 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3190 3155 3191 3156 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3192 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3157 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3193 3158 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3194 3159 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3195 3160 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase 3196 3161 type – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this 3197 can only be set when there are no atoms in the Atoms page for this phase. Select3198 it when the phase is initialized.<u><o:p></o:p></u></span></p>3199 3200 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3201 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3162 can only be set when there are no atoms in the Atoms page for this phase. 3163 Select it when the phase is initialized.<u><o:p></o:p></u></span></p> 3164 3165 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3166 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3202 3167 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3203 3168 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3214 3179 3215 3180 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3216 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3181 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3217 3182 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3218 3183 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3315 3280 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/> 3316 3281 </v:shape><![endif]--><![if !vml]><img width=335 height=19 3317 src="gsasII_files/image00 7.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span3282 src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span 3318 3283 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p> 3319 3284 3320 3285 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3321 auto;text-indent:-.25in;mso-list:l0 level2 lfo1 2'><![if !supportLists]><span3286 auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span 3322 3287 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3323 3288 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3329 3294 the values entered.<u><o:p></o:p></u></span></p> 3330 3295 3331 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo1 2'><![if !supportLists]><span3296 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span 3332 3297 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3333 3298 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3338 3303 fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> 3339 3304 3340 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo1 2'><![if !supportLists]><span3305 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span 3341 3306 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3342 3307 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3375 3340 3376 3341 <p class=MsoNormal>This gives a list of the atoms and bonds that are to be 3377 rendered as lines, van <span class=SpellE>der</span> Waals radii balls,sticks,3378 balls & sticks, ellipsoids & sticks or <span class=SpellE>polyhedra</span>. 3379 There are two menus for this tab; Edit allows modification of the list of atoms 3380 to berendered and Compute gives some options for geometric characterization of3342 rendered as lines, van der Waals radii balls, sticks, balls & sticks, 3343 ellipsoids & sticks or <span class=SpellE>polyhedra</span>. There are two 3344 menus for this tab; Edit allows modification of the list of atoms to be 3345 rendered and Compute gives some options for geometric characterization of 3381 3346 selected atoms.</p> 3382 3347 3383 3348 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3384 3349 3385 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3350 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3386 3351 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3387 3352 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 3394 3359 deselect all atoms.</p> 3395 3360 3396 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3361 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3397 3362 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3398 3363 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 3407 3372 anytime during the selection process.</p> 3408 3373 3409 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3374 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3410 3375 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3411 3376 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 3415 3380 those atoms to be selected.</p> 3416 3381 3417 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3382 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3418 3383 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3419 3384 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 3427 3392 aren’t rendered and thus the plot will not show any atoms or bonds!</p> 3428 3393 3429 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3394 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3430 3395 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 3431 3396 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3435 3400 3436 3401 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3437 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3402 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3438 3403 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3439 3404 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3442 3407 3443 3408 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3444 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3409 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3445 3410 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3446 3411 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3450 3415 3451 3416 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3452 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3417 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3453 3418 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3454 3419 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3456 3421 the atom; a color choice dialog is displayed that covers the entire color 3457 3422 spectrum. Choose a color by any of the means available, press the “Add to 3458 Custom Colors”, select that color in the Custom colors display and then press3459 OK.</p>3460 3461 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3462 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3423 Custom Colors”, select that color in the Custom colors display and then 3424 press OK.</p> 3425 3426 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3427 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3463 3428 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3464 3429 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3467 3432 3468 3433 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3469 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3434 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3470 3435 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3471 3436 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3474 3439 3475 3440 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3476 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3441 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3477 3442 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3478 3443 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3484 3449 3485 3450 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3486 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3451 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3487 3452 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3488 3453 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3489 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a symmetry3490 operator and unit cell translation to the set of selected atoms; they will be 3491 changed in place. Any anisotropic thermal displacement parameters (<span3454 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a 3455 symmetry operator and unit cell translation to the set of selected atoms; they 3456 will be changed in place. Any anisotropic thermal displacement parameters (<span 3492 3457 class=SpellE>Uij</span>) will be transformed as appropriate.</p> 3493 3458 3494 3459 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3495 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3460 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3496 3461 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3497 3462 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3502 3467 3503 3468 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3504 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3469 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3505 3470 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3506 3471 style='font:7.0pt "Times New Roman"'> … … 3511 3476 3512 3477 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3513 auto;text-indent:-.25in;mso-list:l1 5 level1 lfo14'><![if !supportLists]><span3478 auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span 3514 3479 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3515 3480 style='font:7.0pt "Times New Roman"'> … … 3519 3484 table, e.g. by a structure refinement.</p> 3520 3485 3521 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1 level1 lfo13'><![if !supportLists]><span3486 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span 3522 3487 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 3523 3488 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3528 3493 3529 3494 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3530 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo15'><![if !supportLists]><span3495 auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span 3531 3496 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3532 3497 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3533 style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b 3534 style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight: 3535 normal'>. </b>– <span class=GramE>when</span> 2-4 atoms are selected, a 3536 distance, angle or torsion angle will be found for them. The angles are 3498 style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight: 3499 normal'>Tors. </b>– <span class=GramE>when</span> 2-4 atoms are selected, 3500 a distance, angle or torsion angle will be found for them. The angles are 3537 3501 computed for the atoms in their selection order. The torsion angle is a right 3538 3502 hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An … … 3543 3507 3544 3508 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3545 text-indent:-.25in;mso-list:l1 4 level1 lfo15'><![if !supportLists]><span3509 text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span 3546 3510 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3547 3511 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3548 3512 style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms 3549 3513 are selected, a best plane is determined for them. The result is shown on the 3550 console window; it may be cut & pasted to another application (e.g. 3551 Microsoft Word). Shown are the atom coordinates transformed to Cartesian best 3552 plane coordinates where the largest range is over the X-axis and the smallest 3553 is over the Z-axis with the origin at the <span class=SpellE>unweighted</span> 3554 center of the selection. Root mean square displacements along each axis for the 3555 bestplane are also listed. The Z-axis RMS value indicates the flatness of the3514 console window; it may be cut & pasted to another application (e.g. Microsoft 3515 Word). Shown are the atom coordinates transformed to Cartesian best plane 3516 coordinates where the largest range is over the X-axis and the smallest is over 3517 the Z-axis with the origin at the <span class=SpellE>unweighted</span> center 3518 of the selection. Root mean square displacements along each axis for the best 3519 plane are also listed. The Z-axis RMS value indicates the flatness of the 3556 3520 proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select 3557 3521 (e.g. all) atoms then Best plane will give Cartesian coordinates for these … … 3563 3527 <h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4> 3564 3528 3565 <p class=MsoNormal>This gives the list of reflections used in a Pawley 3566 refinementand can only be seen if the phase type is ‘Pawley’ (see<span3529 <p class=MsoNormal>This gives the list of reflections used in a Pawley refinement 3530 and can only be seen if the phase type is ‘Pawley’ (see<span 3567 3531 style='color:#00B0F0'> </span><a href="#General">General</a>)<span 3568 3532 style='color:#00B0F0'>.</span></p> … … 3570 3534 <h5>What can I do here?</h5> 3571 3535 3572 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo1 6'><![if !supportLists]><span3536 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span 3573 3537 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3574 3538 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3576 3540 3577 3541 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3578 auto;text-indent:-.25in;mso-list:l1 3 level2 lfo17'><![if !supportLists]><span3542 auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span 3579 3543 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3580 3544 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3588 3552 3589 3553 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3590 auto;text-indent:-.25in;mso-list:l1 3 level2 lfo17'><![if !supportLists]><span3554 auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span 3591 3555 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3592 3556 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3598 3562 3599 3563 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3600 auto;text-indent:-.25in;mso-list:l1 3 level2 lfo17'><![if !supportLists]><span3564 auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span 3601 3565 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3602 3566 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3604 3568 set of Pawley reflections.</p> 3605 3569 3606 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo1 6'><![if !supportLists]><span3570 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span 3607 3571 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3608 3572 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 3614 3578 error in your Pawley refinement.</p> 3615 3579 3616 <p class=MsoListParagraphCxSp Last style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span3580 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span 3617 3581 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3618 3582 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 3622 3586 the table.</p> 3623 3587 3588 <p class=MsoListParagraphCxSpLast><o:p> </o:p></p> 3589 3590 <h4><a name="Map_peaks">Map peaks</a></h4> 3591 3592 <span style='mso-bookmark:Map_peaks'></span> 3593 3594 <p class=MsoNormal>This gives the list (magnitude, x y & z) of all peaks 3595 found within the unit cell from the last Fourier map search sorted in order of 3596 decreasing peak magnitude. The crystal structure plot shows each peak position 3597 as a white 3-D cross.</p> 3598 3599 <h5>What can I do here?<o:p></o:p></h5> 3600 3601 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span 3602 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3603 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 3604 a peak with a left click on the left hand row number, hold Ctrl key down to add 3605 more peaks to your selection. Each peak selected will show as a green 3-D cross 3606 on the crystal structure plot.<o:p></o:p></p> 3607 3608 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span 3609 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3610 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 3611 <b style='mso-bidi-font-weight:normal'>‘Map peaks’ </b><span 3612 style='mso-spacerun:yes'> </span>–</p> 3613 3614 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3615 auto;text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span 3616 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3617 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3618 style='mso-bidi-font-weight:normal'>Move peaks</b> – this copies selected 3619 peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw 3620 Atoms</a> list. They will be appended to the end of each list each with the 3621 name ‘UNK’ and the atom type as ‘H’. They will also be 3622 drawn as small white spheres at their respective positions in the structure 3623 drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and 3624 change the atom type to whatever element you desire; it will be renamed 3625 automatically.</p> 3626 3627 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3628 text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span 3629 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3630 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3631 style='mso-bidi-font-weight:normal'>Clear peaks </b>– this deletes all the 3632 peaks in the map peak list; they are also removed from the crystal structure 3633 drawing plot.</p> 3634 3624 3635 <div class=MsoNormal align=center style='text-align:center'><span 3625 3636 style='mso-fareast-font-family:"Times New Roman"'> … … 3648 3659 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"; 3649 3660 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 3650 src=graphbar.jpg></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3661 src=graphbar.jpg alt="Description: D:\pyGSAS\help\graphbar.jpg"></span><span 3662 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3651 3663 3652 3664 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These … … 3655 3667 <ul type=disc> 3656 3668 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3657 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3669 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3658 3670 "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> 3659 3671 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3660 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3672 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3661 3673 "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> 3662 3674 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3663 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3675 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3664 3676 "Times New Roman"'>Forward: reverses the action in the previous press(es) 3665 3677 of the Back button <o:p></o:p></span></li> 3666 3678 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3667 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3679 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3668 3680 "Times New Roman"'>Pan: allows you to control panning across the plot 3669 3681 (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> 3670 3682 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3671 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3683 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3672 3684 "Times New Roman"'>Zoom: allows you to select a portion of the plot (press 3673 3685 right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> 3674 3686 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3675 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3687 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3676 3688 "Times New Roman"'>Save: allows you to save the currently displayed plot 3677 3689 in one of several graphical formats suitable for printing or insertion in 3678 3690 a document.<o:p></o:p></span></li> 3679 3691 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3680 mso-list:l1 level1 lfo 18;tab-stops:list .5in'><span style='mso-fareast-font-family:3692 mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family: 3681 3693 "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> 3682 3694 </ul> … … 3698 3710 3699 3711 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3700 powder patterns that are part of your project are shown on this page. They can 3701 be displayed as a stack of powder patterns, just a single pattern or as a 3702 contour image of the peak intensities. What can be done here will depend on 3703 which isdisplayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>3712 powder patterns that are part of your project are shown on this page. They can be 3713 displayed as a stack of powder patterns, just a single pattern or as a contour 3714 image of the peak intensities. What can be done here will depend on which is 3715 displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p> 3704 3716 3705 3717 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3706 3718 3707 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo 19'><![if !supportLists]><span3719 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span 3708 3720 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3709 3721 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3716 3728 style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> 3717 3729 3718 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo 19'><![if !supportLists]><span3730 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span 3719 3731 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3720 3732 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On … … 3724 3736 3725 3737 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3726 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3738 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3727 3739 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3728 3740 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3733 3745 3734 3746 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3735 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3747 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3736 3748 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3737 3749 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3738 3750 class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b 3739 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of3740 multiple powder profiles, increase the offset to the left. Does not apply if3751 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot 3752 of multiple powder profiles, increase the offset to the left. Does not apply if 3741 3753 only one pattern.</p> 3742 3754 3743 3755 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3744 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3756 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3745 3757 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3746 3758 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3751 3763 3752 3764 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3753 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3765 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3754 3766 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3755 3767 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3760 3772 3761 3773 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3762 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3774 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3763 3775 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3764 3776 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3769 3781 3770 3782 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3771 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3783 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3772 3784 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3773 3785 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3778 3790 3779 3791 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3780 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3792 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3781 3793 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3782 3794 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3788 3800 3789 3801 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3790 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3802 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3791 3803 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3792 3804 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3797 3809 3798 3810 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3799 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3811 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3800 3812 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3801 3813 style='font:7.0pt "Times New Roman"'> … … 3806 3818 3807 3819 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3808 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3820 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3809 3821 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3810 3822 style='font:7.0pt "Times New Roman"'> … … 3816 3828 3817 3829 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3818 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3830 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3819 3831 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span 3820 3832 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3822 3834 profiles, only the observed curve is shown.</p> 3823 3835 3824 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo 19'><![if !supportLists]><span3836 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span 3825 3837 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3826 3838 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3829 3841 3830 3842 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3831 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3843 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3832 3844 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3833 3845 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3839 3851 3840 3852 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3841 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3853 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3842 3854 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3843 3855 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3847 3859 3848 3860 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3849 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3861 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3850 3862 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3851 3863 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3852 class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span 3853 style='mso-fareast-font-family:"Times New Roman"'>i</span></b></span></span><b 3854 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>: 3855 interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3856 – this changes the method used to represent the contours. If selected a 3857 dialog box appears with all the possible choices. Default is 3858 ‘nearest’; the other useful choice is ‘bilinear’, this 3859 will smooth out the contours. <o:p></o:p></span></p> 3860 3861 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3862 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3864 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: 3865 "Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span 3866 style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span 3867 style='mso-fareast-font-family:"Times New Roman"'> – this changes the 3868 method used to represent the contours. If selected a dialog box appears with 3869 all the possible choices. Default is ‘nearest’; the other useful 3870 choice is ‘bilinear’, this will smooth out the contours. <o:p></o:p></span></p> 3871 3872 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3873 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3863 3874 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3864 3875 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3868 3879 style='mso-fareast-font-family:"Times New Roman"'> – this changes the 3869 3880 color scheme for the contouring. Default is <span class=GramE>‘Paired’,</span> 3870 black/ white options are ‘ <span class=SpellE>Greys’</span> and3871 ‘binary’ (for black on white) or ‘gray’ (for white on 3872 black). Others can be verycolorful (but not useful)!<o:p></o:p></span></p>3873 3874 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3875 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3881 black/ white options are ‘Greys’ and ‘binary’ (for 3882 black on white) or ‘gray’ (for white on black). Others can be very 3883 colorful (but not useful)!<o:p></o:p></span></p> 3884 3885 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3886 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3876 3887 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3877 3888 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3882 3893 contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p> 3883 3894 3884 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo 19'><![if !supportLists]><span3895 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span 3885 3896 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3886 3897 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3890 3901 3891 3902 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3892 auto;text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3903 auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3893 3904 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3894 3905 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3902 3913 3903 3914 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3904 text-indent:-.25in;mso-list:l4 level2 lfo 19;tab-stops:list 1.0in'><![if !supportLists]><span3915 text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span 3905 3916 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3906 3917 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3921 3932 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3922 3933 3923 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo2 0'><![if !supportLists]><span3934 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span 3924 3935 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3925 3936 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move … … 3930 3941 status bar.</p> 3931 3942 3932 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo2 0'><![if !supportLists]><span3943 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span 3933 3944 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3934 3945 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use … … 3936 3947 matrix. </p> 3937 3948 3938 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo2 0'><![if !supportLists]><span3949 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span 3939 3950 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3940 3951 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3982 3993 the instrument contribution that were set when the powder pattern was first 3983 3994 read in to GSAS-II. If individual peak fitting has been performed, the values 3984 of ‘sig’ & ‘<span class=SpellE>gam</span>’ for the 3985 peaks are plotted as ‘+’; these are computed from the fitted values 3986 of U, V, W, X and Y as well as any sig or <span class=SpellE>gam</span> 3987 individually refined.<o:p></o:p></span></p> 3995 of ‘sig’ & ‘gam’ for the peaks are plotted as 3996 ‘+’; these are computed from the fitted values of U, V, W, X and Y 3997 as well as any sig or gam individually refined.<o:p></o:p></span></p> 3988 3998 3989 3999 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4> … … 4050 4060 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 4051 4061 4062 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Crystal Structure<o:p></o:p></span></h4> 4063 4064 <p class=MsoNormal>This plot shows the atoms of the crystal structure. The atoms 4065 are displayed according to the controls in the <a href="gsasII.html">Draw Options</a> 4066 page.</p> 4067 4068 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 4069 4052 4070 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 4053 4071
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