Changeset 5262


Ignore:
Timestamp:
Apr 14, 2022 11:35:01 AM (11 months ago)
Author:
vondreele
Message:

revise help pages to a common style; bullet points instead of index/subindex style.
Small fixes to code to match help & v/v

Location:
trunk
Files:
18 added
51 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIIdataGUI.py

    r5260 r5262  
    61596159        self.ErrorAnal.Append(G2G.wxID_PWD3DHKLPLOT,'Plot 3D HKLs','Plot HKLs from single crystal data in 3D')
    61606160        self.ErrorAnal.Append(G2G.wxID_3DALLHKLPLOT,'Plot all 3D HKLs','Plot HKLs from all single crystal data in 3D')
    6161         self.ErrorAnal.Append(G2G.wxID_PWDCOPY,'Copy params','Copy of HKLF parameters')
     6161#        self.ErrorAnal.Append(G2G.wxID_PWDCOPY,'Copy params','Copy of HKLF parameters') #unused
    61626162        self.PostfillDataMenu()
    61636163           

  • trunk/GSASIIplot.py

    r5251 r5262  
    60586058    for N,item in enumerate(data['d-zero']):
    60596059        Y,X = np.array(item['ImtaObs'])         #plot azimuth as X & d-spacing as Y
    6060         Plot.plot(X,Y,marker='+',color=colors[N%NC],picker=False)
     6060        Plot.plot(X,Y,marker='+',color=colors[N%NC],picker=False,linewidth=0)
    60616061        Y,X = np.array(item['ImtaCalc'])
    60626062        Plot.plot(X,Y,colors[N%NC],picker=False)

  • trunk/help/gsasII-phase.html

    <
    r5257 r5262  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
    27   <o:Revision>48</o:Revision>
    28   <o:TotalTime>7295</o:TotalTime>
     27  <o:Revision>62</o:Revision>
     28  <o:TotalTime>7427</o:TotalTime>
    2929  <o:Created>2021-06-20T02:30:00Z</o:Created>
    30   <o:LastSaved>2022-03-31T21:35:00Z</o:LastSaved>
     30  <o:LastSaved>2022-04-14T15:59:00Z</o:LastSaved>
    3131  <o:Pages>1</o:Pages>
    32   <o:Words>10342</o:Words>
    33   <o:Characters>58951</o:Characters>
     32  <o:Words>10328</o:Words>
     33  <o:Characters>58871</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>491</o:Lines>
     35  <o:Lines>490</o:Lines>
    3636  <o:Paragraphs>138</o:Paragraphs>
    37   <o:CharactersWithSpaces>69155</o:CharactersWithSpaces>
     37  <o:CharactersWithSpaces>69061</o:CharactersWithSpaces>
    3838  <o:Version>16.00</o:Version>
    3939 </o:DocumentProperties>
    … …  
    4848<!--[if gte mso 9]><xml>
    4949 <w:WordDocument>
    50   <w:Zoom>148</w:Zoom>
     50  <w:Zoom>220</w:Zoom>
     51  <w:SpellingState>Clean</w:SpellingState>
     52  <w:GrammarState>Clean</w:GrammarState>
    5153  <w:TrackMoves>false</w:TrackMoves>
    5254  <w:TrackFormatting/>
    … …  
    805807        font-style:italic;}
    806808h5
    807         {mso-style-noshow:yes;
    808         mso-style-priority:9;
     809        {mso-style-priority:9;
    809810        mso-style-qformat:yes;
    810811        mso-style-link:"Heading 5 Char";
    … …  
    11931194span.Heading5Char
    11941195        {mso-style-name:"Heading 5 Char";
    1195         mso-style-noshow:yes;
    11961196        mso-style-priority:9;
    11971197        mso-style-unhide:no;
    … …  
    13061306        font-family:"Times New Roman",serif;
    13071307        mso-fareast-font-family:"Times New Roman";}
     1308span.SpellE
     1309        {mso-style-name:"";
     1310        mso-spl-e:yes;}
     1311span.GramE
     1312        {mso-style-name:"";
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    13081314.MsoChpDefault
    13091315        {mso-style-type:export-only;
    … …  
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     1403        margin-left:.25in;
     1404        text-indent:-.25in;}
    13871405@list l1:level2
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    1395         mso-bidi-font-family:"Times New Roman";}
     1408        mso-level-tab-stop:none;
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    13971414        {mso-level-number-format:bullet;
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    14031420        font-family:Wingdings;}
    14041421@list l1:level4
    14051422        {mso-level-number-format:bullet;
     1423        mso-level-text:;
     1424        mso-level-tab-stop:none;
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     1428        font-family:Symbol;}
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     1436        font-family:"Courier New";}
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     1443@list l1:level7
     1444        {mso-level-number-format:bullet;
     1445        mso-level-text:;
     1446        mso-level-tab-stop:none;
     1447        mso-level-number-position:left;
     1448        margin-left:3.25in;
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     1450        font-family:Symbol;}
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     1453        mso-level-text:o;
     1454        mso-level-tab-stop:none;
     1455        mso-level-number-position:left;
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     1458        font-family:"Courier New";}
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    … …  
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     1509        text-indent:-.25in;}
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     1516        mso-level-text:;
     1517        mso-level-tab-stop:none;
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     1519        text-indent:-.25in;
     1520        font-family:Symbol;}
     1521@list l3:level2
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     1523        mso-level-text:;
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     1527        font-family:Symbol;}
     1528@list l3:level3
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     1530        mso-level-text:;
     1531        mso-level-tab-stop:none;
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     1534        font-family:Wingdings;}
     1535@list l3:level4
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     1537        mso-level-text:;
     1538        mso-level-tab-stop:none;
     1539        mso-level-number-position:left;
     1540        text-indent:-.25in;
     1541        font-family:Symbol;}
     1542@list l3:level5
     1543        {mso-level-number-format:bullet;
     1544        mso-level-text:o;
     1545        mso-level-tab-stop:none;
     1546        mso-level-number-position:left;
     1547        text-indent:-.25in;
     1548        font-family:"Courier New";}
     1549@list l3:level6
     1550        {mso-level-number-format:bullet;
     1551        mso-level-text:;
     1552        mso-level-tab-stop:none;
     1553        mso-level-number-position:left;
     1554        text-indent:-.25in;
     1555        font-family:Wingdings;}
     1556@list l3:level7
     1557        {mso-level-number-format:bullet;
     1558        mso-level-text:;
     1559        mso-level-tab-stop:none;
     1560        mso-level-number-position:left;
     1561        text-indent:-.25in;
     1562        font-family:Symbol;}
     1563@list l3:level8
     1564        {mso-level-number-format:bullet;
     1565        mso-level-text:o;
     1566        mso-level-tab-stop:none;
     1567        mso-level-number-position:left;
     1568        text-indent:-.25in;
     1569        font-family:"Courier New";}
     1570@list l3:level9
     1571        {mso-level-number-format:bullet;
     1572        mso-level-text:;
     1573        mso-level-tab-stop:none;
     1574        mso-level-number-position:left;
     1575        text-indent:-.25in;
     1576        font-family:Wingdings;}
     1577@list l4
     1578        {mso-list-id:244924167;
     1579        mso-list-type:hybrid;
     1580        mso-list-template-ids:1756113088 67698689 67698691 67698693 67698689 67698691 95158906 67698689 67698691 67698693;}
     1581@list l4:level1
     1582        {mso-level-number-format:bullet;
     1583        mso-level-text:;
     1584        mso-level-tab-stop:none;
     1585        mso-level-number-position:left;
     1586        text-indent:-.25in;
     1587        font-family:Symbol;}
     1588@list l4:level2
     1589        {mso-level-number-format:bullet;
     1590        mso-level-text:o;
     1591        mso-level-tab-stop:none;
     1592        mso-level-number-position:left;
     1593        text-indent:-.25in;
     1594        font-family:"Courier New";}
     1595@list l4:level3
     1596        {mso-level-number-format:bullet;
     1597        mso-level-text:;
     1598        mso-level-tab-stop:none;
     1599        mso-level-number-position:left;
     1600        text-indent:-.25in;
     1601        font-family:Wingdings;}
     1602@list l4:level4
     1603        {mso-level-number-format:bullet;
     1604        mso-level-text:;
     1605        mso-level-tab-stop:none;
     1606        mso-level-number-position:left;
     1607        text-indent:-.25in;
     1608        font-family:Symbol;}
     1609@list l4:level5
     1610        {mso-level-number-format:bullet;
     1611        mso-level-text:o;
     1612        mso-level-tab-stop:none;
     1613        mso-level-number-position:left;
     1614        text-indent:-.25in;
     1615        font-family:"Courier New";}
     1616@list l4:level6
     1617        {mso-level-text:"%6\)";
     1618        mso-level-tab-stop:none;
     1619        mso-level-number-position:left;
     1620        text-indent:-.25in;}
     1621@list l4:level7
     1622        {mso-level-number-format:bullet;
     1623        mso-level-text:;
     1624        mso-level-tab-stop:none;
     1625        mso-level-number-position:left;
     1626        text-indent:-.25in;
     1627        font-family:Symbol;}
     1628@list l4:level8
     1629        {mso-level-number-format:bullet;
     1630        mso-level-text:o;
     1631        mso-level-tab-stop:none;
     1632        mso-level-number-position:left;
     1633        text-indent:-.25in;
     1634        font-family:"Courier New";}
     1635@list l4:level9
     1636        {mso-level-number-format:bullet;
     1637        mso-level-text:;
     1638        mso-level-tab-stop:none;
     1639        mso-level-number-position:left;
     1640        text-indent:-.25in;
     1641        font-family:Wingdings;}
     1642@list l5
     1643        {mso-list-id:298077903;
     1644        mso-list-template-ids:1848676768;}
     1645@list l5:level1
     1646        {mso-level-start-at:8;
     1647        mso-level-tab-stop:none;
     1648        mso-level-number-position:left;
     1649        margin-left:.25in;
     1650        text-indent:-.25in;}
     1651@list l5:level2
     1652        {mso-level-number-format:alpha-lower;
     1653        mso-level-tab-stop:.75in;
     1654        mso-level-number-position:left;
     1655        margin-left:.75in;
     1656        text-indent:-.25in;}
     1657@list l5:level3
     1658        {mso-level-tab-stop:1.25in;
     1659        mso-level-number-position:left;
     1660        margin-left:1.25in;
     1661        text-indent:-.25in;}
     1662@list l5:level4
     1663        {mso-level-number-format:alpha-lower;
     1664        mso-level-tab-stop:1.75in;
     1665        mso-level-number-position:left;
     1666        margin-left:1.75in;
     1667        text-indent:-.25in;}
     1668@list l5:level5
     1669        {mso-level-tab-stop:2.25in;
     1670        mso-level-number-position:left;
     1671        margin-left:2.25in;
     1672        text-indent:-.25in;}
     1673@list l5:level6
     1674        {mso-level-tab-stop:2.75in;
     1675        mso-level-number-position:left;
     1676        margin-left:2.75in;
     1677        text-indent:-.25in;}
     1678@list l5:level7
     1679        {mso-level-tab-stop:3.25in;
     1680        mso-level-number-position:left;
     1681        margin-left:3.25in;
     1682        text-indent:-.25in;}
     1683@list l5:level8
     1684        {mso-level-tab-stop:3.75in;
     1685        mso-level-number-position:left;
     1686        margin-left:3.75in;
     1687        text-indent:-.25in;}
     1688@list l5:level9
     1689        {mso-level-tab-stop:4.25in;
     1690        mso-level-number-position:left;
     1691        margin-left:4.25in;
     1692        text-indent:-.25in;}
     1693@list l6
     1694        {mso-list-id:356658227;
     1695        mso-list-type:hybrid;
     1696        mso-list-template-ids:855162736 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     1697@list l6:level1
     1698        {mso-level-number-format:bullet;
     1699        mso-level-text:;
     1700        mso-level-tab-stop:none;
     1701        mso-level-number-position:left;
     1702        text-indent:-.25in;
     1703        font-family:Symbol;}
     1704@list l6:level2
     1705        {mso-level-number-format:bullet;
     1706        mso-level-text:o;
     1707        mso-level-tab-stop:none;
     1708        mso-level-number-position:left;
     1709        text-indent:-.25in;
     1710        font-family:"Courier New";}
     1711@list l6:level3
     1712        {mso-level-number-format:bullet;
     1713        mso-level-text:;
     1714        mso-level-tab-stop:none;
     1715        mso-level-number-position:left;
     1716        text-indent:-.25in;
     1717        font-family:Wingdings;}
     1718@list l6:level4
     1719        {mso-level-number-format:bullet;
     1720        mso-level-text:;
     1721        mso-level-tab-stop:none;
     1722        mso-level-number-position:left;
     1723        text-indent:-.25in;
     1724        font-family:Symbol;}
     1725@list l6:level5
     1726        {mso-level-number-format:bullet;
     1727        mso-level-text:o;
     1728        mso-level-tab-stop:none;
     1729        mso-level-number-position:left;
     1730        text-indent:-.25in;
     1731        font-family:"Courier New";}
     1732@list l6:level6
     1733        {mso-level-number-format:bullet;
     1734        mso-level-text:;
     1735        mso-level-tab-stop:none;
     1736        mso-level-number-position:left;
     1737        text-indent:-.25in;
     1738        font-family:Wingdings;}
     1739@list l6:level7
     1740        {mso-level-number-format:bullet;
     1741        mso-level-text:;
     1742        mso-level-tab-stop:none;
     1743        mso-level-number-position:left;
     1744        text-indent:-.25in;
     1745        font-family:Symbol;}
     1746@list l6:level8
     1747        {mso-level-number-format:bullet;
     1748        mso-level-text:o;
     1749        mso-level-tab-stop:none;
     1750        mso-level-number-position:left;
     1751        text-indent:-.25in;
     1752        font-family:"Courier New";}
     1753@list l6:level9
     1754        {mso-level-number-format:bullet;
     1755        mso-level-text:;
     1756        mso-level-tab-stop:none;
     1757        mso-level-number-position:left;
     1758        text-indent:-.25in;
     1759        font-family:Wingdings;}
     1760@list l7
     1761        {mso-list-id:879052513;
     1762        mso-list-type:hybrid;
     1763        mso-list-template-ids:1535001946 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     1764@list l7:level1
     1765        {mso-level-number-format:bullet;
     1766        mso-level-text:;
     1767        mso-level-tab-stop:none;
     1768        mso-level-number-position:left;
     1769        text-indent:-.25in;
     1770        font-family:Symbol;}
     1771@list l7:level2
     1772        {mso-level-number-format:bullet;
     1773        mso-level-text:o;
     1774        mso-level-tab-stop:none;
     1775        mso-level-number-position:left;
     1776        text-indent:-.25in;
     1777        font-family:"Courier New";}
     1778@list l7:level3
     1779        {mso-level-number-format:bullet;
     1780        mso-level-text:;
     1781        mso-level-tab-stop:none;
     1782        mso-level-number-position:left;
     1783        text-indent:-.25in;
     1784        font-family:Wingdings;}
     1785@list l7:level4
     1786        {mso-level-number-format:bullet;
     1787        mso-level-text:;
     1788        mso-level-tab-stop:none;
     1789        mso-level-number-position:left;
     1790        text-indent:-.25in;
     1791        font-family:Symbol;}
     1792@list l7:level5
     1793        {mso-level-number-format:bullet;
     1794        mso-level-text:o;
     1795        mso-level-tab-stop:none;
     1796        mso-level-number-position:left;
     1797        text-indent:-.25in;
     1798        font-family:"Courier New";}
     1799@list l7:level6
     1800        {mso-level-number-format:bullet;
     1801        mso-level-text:;
     1802        mso-level-tab-stop:none;
     1803        mso-level-number-position:left;
     1804        text-indent:-.25in;
     1805        font-family:Wingdings;}
     1806@list l7:level7
     1807        {mso-level-number-format:bullet;
     1808        mso-level-text:;
     1809        mso-level-tab-stop:none;
     1810        mso-level-number-position:left;
     1811        text-indent:-.25in;
     1812        font-family:Symbol;}
     1813@list l7:level8
     1814        {mso-level-number-format:bullet;
     1815        mso-level-text:o;
     1816        mso-level-tab-stop:none;
     1817        mso-level-number-position:left;
     1818        text-indent:-.25in;
     1819        font-family:"Courier New";}
     1820@list l7:level9
     1821        {mso-level-number-format:bullet;
     1822        mso-level-text:;
     1823        mso-level-tab-stop:none;
     1824        mso-level-number-position:left;
     1825        text-indent:-.25in;
     1826        font-family:Wingdings;}
     1827@list l8
     1828        {mso-list-id:895970275;
     1829        mso-list-type:hybrid;
     1830        mso-list-template-ids:1039805334 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     1831@list l8:level1
     1832        {mso-level-number-format:bullet;
     1833        mso-level-text:;
     1834        mso-level-tab-stop:none;
     1835        mso-level-number-position:left;
     1836        text-indent:-.25in;
     1837        font-family:Symbol;}
     1838@list l8:level2
     1839        {mso-level-number-format:bullet;
     1840        mso-level-text:o;
     1841        mso-level-tab-stop:none;
     1842        mso-level-number-position:left;
     1843        text-indent:-.25in;
     1844        font-family:"Courier New";}
     1845@list l8:level3
     1846        {mso-level-number-format:bullet;
     1847        mso-level-text:;
     1848        mso-level-tab-stop:none;
     1849        mso-level-number-position:left;
     1850        text-indent:-.25in;
     1851        font-family:Wingdings;}
     1852@list l8:level4
     1853        {mso-level-number-format:bullet;
     1854        mso-level-text:;
     1855        mso-level-tab-stop:none;
     1856        mso-level-number-position:left;
     1857        text-indent:-.25in;
     1858        font-family:Symbol;}
     1859@list l8:level5
     1860        {mso-level-number-format:bullet;
     1861        mso-level-text:o;
     1862        mso-level-tab-stop:none;
     1863        mso-level-number-position:left;
     1864        text-indent:-.25in;
     1865        font-family:"Courier New";}
     1866@list l8:level6
     1867        {mso-level-number-format:bullet;
     1868        mso-level-text:;
     1869        mso-level-tab-stop:none;
     1870        mso-level-number-position:left;
     1871        text-indent:-.25in;
     1872        font-family:Wingdings;}
     1873@list l8:level7
     1874        {mso-level-number-format:bullet;
     1875        mso-level-text:;
     1876        mso-level-tab-stop:none;
     1877        mso-level-number-position:left;
     1878        text-indent:-.25in;
     1879        font-family:Symbol;}
     1880@list l8:level8
     1881        {mso-level-number-format:bullet;
     1882        mso-level-text:o;
     1883        mso-level-tab-stop:none;
     1884        mso-level-number-position:left;
     1885        text-indent:-.25in;
     1886        font-family:"Courier New";}
     1887@list l8:level9
     1888        {mso-level-number-format:bullet;
     1889        mso-level-text:;
     1890        mso-level-tab-stop:none;
     1891        mso-level-number-position:left;
     1892        text-indent:-.25in;
     1893        font-family:Wingdings;}
     1894@list l9
     1895        {mso-list-id:898789369;
     1896        mso-list-type:hybrid;
     1897        mso-list-template-ids:-1063327240 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     1898@list l9:level1
     1899        {mso-level-number-format:bullet;
     1900        mso-level-text:;
     1901        mso-level-tab-stop:none;
     1902        mso-level-number-position:left;
     1903        text-indent:-.25in;
     1904        font-family:Symbol;}
     1905@list l9:level2
     1906        {mso-level-number-format:bullet;
     1907        mso-level-text:o;
     1908        mso-level-tab-stop:none;
     1909        mso-level-number-position:left;
     1910        text-indent:-.25in;
     1911        font-family:"Courier New";}
     1912@list l9:level3
     1913        {mso-level-number-format:bullet;
     1914        mso-level-text:;
     1915        mso-level-tab-stop:none;
     1916        mso-level-number-position:left;
     1917        text-indent:-.25in;
     1918        font-family:Wingdings;}
     1919@list l9:level4
     1920        {mso-level-number-format:bullet;
     1921        mso-level-text:;
     1922        mso-level-tab-stop:none;
     1923        mso-level-number-position:left;
     1924        text-indent:-.25in;
     1925        font-family:Symbol;}
     1926@list l9:level5
     1927        {mso-level-number-format:bullet;
     1928        mso-level-text:o;
     1929        mso-level-tab-stop:none;
     1930        mso-level-number-position:left;
     1931        text-indent:-.25in;
     1932        font-family:"Courier New";}
     1933@list l9:level6
     1934        {mso-level-number-format:bullet;
     1935        mso-level-text:;
     1936        mso-level-tab-stop:none;
     1937        mso-level-number-position:left;
     1938        text-indent:-.25in;
     1939        font-family:Wingdings;}
     1940@list l9:level7
     1941        {mso-level-number-format:bullet;
     1942        mso-level-text:;
     1943        mso-level-tab-stop:none;
     1944        mso-level-number-position:left;
     1945        text-indent:-.25in;
     1946        font-family:Symbol;}
     1947@list l9:level8
     1948        {mso-level-number-format:bullet;
     1949        mso-level-text:o;
     1950        mso-level-tab-stop:none;
     1951        mso-level-number-position:left;
     1952        text-indent:-.25in;
     1953        font-family:"Courier New";}
     1954@list l9:level9
     1955        {mso-level-number-format:bullet;
     1956        mso-level-text:;
     1957        mso-level-tab-stop:none;
     1958        mso-level-number-position:left;
     1959        text-indent:-.25in;
     1960        font-family:Wingdings;}
     1961@list l10
     1962        {mso-list-id:919948450;
     1963        mso-list-template-ids:-445226636;}
     1964@list l10:level1
     1965        {mso-level-tab-stop:none;
     1966        mso-level-number-position:left;
     1967        text-indent:-.25in;}
     1968@list l10:level2
     1969        {mso-level-number-format:alpha-lower;
     1970        mso-level-tab-stop:1.0in;
     1971        mso-level-number-position:left;
     1972        text-indent:-.25in;}
     1973@list l10:level3
     1974        {mso-level-tab-stop:1.5in;
     1975        mso-level-number-position:left;
     1976        text-indent:-.25in;}
     1977@list l10:level4
     1978        {mso-level-number-format:alpha-lower;
     1979        mso-level-tab-stop:2.0in;
     1980        mso-level-number-position:left;
     1981        text-indent:-.25in;}
     1982@list l10:level5
     1983        {mso-level-tab-stop:2.5in;
     1984        mso-level-number-position:left;
     1985        text-indent:-.25in;}
     1986@list l10:level6
     1987        {mso-level-tab-stop:3.0in;
     1988        mso-level-number-position:left;
     1989        text-indent:-.25in;}
     1990@list l10:level7
     1991        {mso-level-tab-stop:3.5in;
     1992        mso-level-number-position:left;
     1993        text-indent:-.25in;}
     1994@list l10:level8
     1995        {mso-level-tab-stop:4.0in;
     1996        mso-level-number-position:left;
     1997        text-indent:-.25in;}
     1998@list l10:level9
     1999        {mso-level-tab-stop:4.5in;
     2000        mso-level-number-position:left;
     2001        text-indent:-.25in;}
     2002@list l11
     2003        {mso-list-id:1005204035;
     2004        mso-list-template-ids:-445226636;}
     2005@list l11:level1
     2006        {mso-level-tab-stop:none;
     2007        mso-level-number-position:left;
     2008        margin-left:.25in;
     2009        text-indent:-.25in;}
     2010@list l11:level2
     2011        {mso-level-number-format:alpha-lower;
     2012        mso-level-tab-stop:.75in;
     2013        mso-level-number-position:left;
     2014        margin-left:.75in;
     2015        text-indent:-.25in;}
     2016@list l11:level3
     2017        {mso-level-tab-stop:1.25in;
     2018        mso-level-number-position:left;
     2019        margin-left:1.25in;
     2020        text-indent:-.25in;}
     2021@list l11:level4
     2022        {mso-level-number-format:alpha-lower;
     2023        mso-level-tab-stop:1.75in;
     2024        mso-level-number-position:left;
     2025        margin-left:1.75in;
     2026        text-indent:-.25in;}
     2027@list l11:level5
     2028        {mso-level-tab-stop:2.25in;
     2029        mso-level-number-position:left;
     2030        margin-left:2.25in;
     2031        text-indent:-.25in;}
     2032@list l11:level6
     2033        {mso-level-tab-stop:2.75in;
     2034        mso-level-number-position:left;
     2035        margin-left:2.75in;
     2036        text-indent:-.25in;}
     2037@list l11:level7
     2038        {mso-level-tab-stop:3.25in;
     2039        mso-level-number-position:left;
     2040        margin-left:3.25in;
     2041        text-indent:-.25in;}
     2042@list l11:level8
     2043        {mso-level-tab-stop:3.75in;
     2044        mso-level-number-position:left;
     2045        margin-left:3.75in;
     2046        text-indent:-.25in;}
     2047@list l11:level9
     2048        {mso-level-tab-stop:4.25in;
     2049        mso-level-number-position:left;
     2050        margin-left:4.25in;
     2051        text-indent:-.25in;}
     2052@list l12
     2053        {mso-list-id:1043138955;
     2054        mso-list-type:hybrid;
     2055        mso-list-template-ids:-1084434800 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2056@list l12:level1
     2057        {mso-level-number-format:bullet;
     2058        mso-level-text:;
     2059        mso-level-tab-stop:none;
     2060        mso-level-number-position:left;
     2061        text-indent:-.25in;
     2062        font-family:Symbol;}
     2063@list l12:level2
     2064        {mso-level-number-format:bullet;
     2065        mso-level-text:o;
     2066        mso-level-tab-stop:none;
     2067        mso-level-number-position:left;
     2068        text-indent:-.25in;
     2069        font-family:"Courier New";}
     2070@list l12:level3
     2071        {mso-level-number-format:bullet;
     2072        mso-level-text:;
     2073        mso-level-tab-stop:none;
     2074        mso-level-number-position:left;
     2075        text-indent:-.25in;
     2076        font-family:Wingdings;}
     2077@list l12:level4
     2078        {mso-level-number-format:bullet;
     2079        mso-level-text:;
     2080        mso-level-tab-stop:none;
     2081        mso-level-number-position:left;
     2082        text-indent:-.25in;
     2083        font-family:Symbol;}
     2084@list l12:level5
     2085        {mso-level-number-format:bullet;
     2086        mso-level-text:o;
     2087        mso-level-tab-stop:none;
     2088        mso-level-number-position:left;
     2089        text-indent:-.25in;
     2090        font-family:"Courier New";}
     2091@list l12:level6
     2092        {mso-level-number-format:bullet;
     2093        mso-level-text:;
     2094        mso-level-tab-stop:none;
     2095        mso-level-number-position:left;
     2096        text-indent:-.25in;
     2097        font-family:Wingdings;}
     2098@list l12:level7
     2099        {mso-level-number-format:bullet;
     2100        mso-level-text:;
     2101        mso-level-tab-stop:none;
     2102        mso-level-number-position:left;
     2103        text-indent:-.25in;
     2104        font-family:Symbol;}
     2105@list l12:level8
     2106        {mso-level-number-format:bullet;
     2107        mso-level-text:o;
     2108        mso-level-tab-stop:none;
     2109        mso-level-number-position:left;
     2110        text-indent:-.25in;
     2111        font-family:"Courier New";}
     2112@list l12:level9
     2113        {mso-level-number-format:bullet;
     2114        mso-level-text:;
     2115        mso-level-tab-stop:none;
     2116        mso-level-number-position:left;
     2117        text-indent:-.25in;
     2118        font-family:Wingdings;}
     2119@list l13
     2120        {mso-list-id:1047681428;
     2121        mso-list-type:hybrid;
     2122        mso-list-template-ids:-1114198680 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2123@list l13:level1
     2124        {mso-level-number-format:bullet;
     2125        mso-level-text:;
     2126        mso-level-tab-stop:none;
     2127        mso-level-number-position:left;
     2128        text-indent:-.25in;
     2129        font-family:Symbol;}
     2130@list l13:level2
     2131        {mso-level-number-format:bullet;
     2132        mso-level-text:o;
     2133        mso-level-tab-stop:none;
     2134        mso-level-number-position:left;
     2135        text-indent:-.25in;
     2136        font-family:"Courier New";}
     2137@list l13:level3
     2138        {mso-level-number-format:bullet;
     2139        mso-level-text:;
     2140        mso-level-tab-stop:none;
     2141        mso-level-number-position:left;
     2142        text-indent:-.25in;
     2143        font-family:Wingdings;}
     2144@list l13:level4
     2145        {mso-level-number-format:bullet;
     2146        mso-level-text:;
     2147        mso-level-tab-stop:none;
     2148        mso-level-number-position:left;
     2149        text-indent:-.25in;
     2150        font-family:Symbol;}
     2151@list l13:level5
     2152        {mso-level-number-format:bullet;
     2153        mso-level-text:o;
     2154        mso-level-tab-stop:none;
     2155        mso-level-number-position:left;
     2156        text-indent:-.25in;
     2157        font-family:"Courier New";}
     2158@list l13:level6
     2159        {mso-level-number-format:bullet;
     2160        mso-level-text:;
     2161        mso-level-tab-stop:none;
     2162        mso-level-number-position:left;
     2163        text-indent:-.25in;
     2164        font-family:Wingdings;}
     2165@list l13:level7
     2166        {mso-level-number-format:bullet;
     2167        mso-level-text:;
     2168        mso-level-tab-stop:none;
     2169        mso-level-number-position:left;
     2170        text-indent:-.25in;
     2171        font-family:Symbol;}
     2172@list l13:level8
     2173        {mso-level-number-format:bullet;
     2174        mso-level-text:o;
     2175        mso-level-tab-stop:none;
     2176        mso-level-number-position:left;
     2177        text-indent:-.25in;
     2178        font-family:"Courier New";}
     2179@list l13:level9
     2180        {mso-level-number-format:bullet;
     2181        mso-level-text:;
     2182        mso-level-tab-stop:none;
     2183        mso-level-number-position:left;
     2184        text-indent:-.25in;
     2185        font-family:Wingdings;}
     2186@list l14
     2187        {mso-list-id:1099060229;
     2188        mso-list-type:hybrid;
     2189        mso-list-template-ids:-1187586634 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2190@list l14:level1
     2191        {mso-level-number-format:bullet;
     2192        mso-level-text:;
     2193        mso-level-tab-stop:none;
     2194        mso-level-number-position:left;
     2195        text-indent:-.25in;
     2196        font-family:Symbol;}
     2197@list l14:level2
     2198        {mso-level-number-format:bullet;
     2199        mso-level-text:o;
     2200        mso-level-tab-stop:none;
     2201        mso-level-number-position:left;
     2202        text-indent:-.25in;
     2203        font-family:"Courier New";}
     2204@list l14:level3
     2205        {mso-level-number-format:bullet;
     2206        mso-level-text:;
     2207        mso-level-tab-stop:none;
     2208        mso-level-number-position:left;
     2209        text-indent:-.25in;
     2210        font-family:Wingdings;}
     2211@list l14:level4
     2212        {mso-level-number-format:bullet;
     2213        mso-level-text:;
     2214        mso-level-tab-stop:none;
     2215        mso-level-number-position:left;
     2216        text-indent:-.25in;
     2217        font-family:Symbol;}
     2218@list l14:level5
     2219        {mso-level-number-format:bullet;
     2220        mso-level-text:o;
     2221        mso-level-tab-stop:none;
     2222        mso-level-number-position:left;
     2223        text-indent:-.25in;
     2224        font-family:"Courier New";}
     2225@list l14:level6
     2226        {mso-level-number-format:bullet;
     2227        mso-level-text:;
     2228        mso-level-tab-stop:none;
     2229        mso-level-number-position:left;
     2230        text-indent:-.25in;
     2231        font-family:Wingdings;}
     2232@list l14:level7
     2233        {mso-level-number-format:bullet;
     2234        mso-level-text:;
     2235        mso-level-tab-stop:none;
     2236        mso-level-number-position:left;
     2237        text-indent:-.25in;
     2238        font-family:Symbol;}
     2239@list l14:level8
     2240        {mso-level-number-format:bullet;
     2241        mso-level-text:o;
     2242        mso-level-tab-stop:none;
     2243        mso-level-number-position:left;
     2244        text-indent:-.25in;
     2245        font-family:"Courier New";}
     2246@list l14:level9
     2247        {mso-level-number-format:bullet;
     2248        mso-level-text:;
     2249        mso-level-tab-stop:none;
     2250        mso-level-number-position:left;
     2251        text-indent:-.25in;
     2252        font-family:Wingdings;}
     2253@list l15
     2254        {mso-list-id:1145272954;
     2255        mso-list-type:hybrid;
     2256        mso-list-template-ids:71485448 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2257@list l15:level1
     2258        {mso-level-number-format:bullet;
     2259        mso-level-text:;
     2260        mso-level-tab-stop:none;
     2261        mso-level-number-position:left;
     2262        text-indent:-.25in;
     2263        font-family:Symbol;}
     2264@list l15:level2
     2265        {mso-level-number-format:bullet;
     2266        mso-level-text:o;
     2267        mso-level-tab-stop:none;
     2268        mso-level-number-position:left;
     2269        text-indent:-.25in;
     2270        font-family:"Courier New";}
     2271@list l15:level3
     2272        {mso-level-number-format:bullet;
     2273        mso-level-text:;
     2274        mso-level-tab-stop:none;
     2275        mso-level-number-position:left;
     2276        text-indent:-.25in;
     2277        font-family:Wingdings;}
     2278@list l15:level4
     2279        {mso-level-number-format:bullet;
     2280        mso-level-text:;
     2281        mso-level-tab-stop:none;
     2282        mso-level-number-position:left;
     2283        text-indent:-.25in;
     2284        font-family:Symbol;}
     2285@list l15:level5
     2286        {mso-level-number-format:bullet;
     2287        mso-level-text:o;
     2288        mso-level-tab-stop:none;
     2289        mso-level-number-position:left;
     2290        text-indent:-.25in;
     2291        font-family:"Courier New";}
     2292@list l15:level6
     2293        {mso-level-number-format:bullet;
     2294        mso-level-text:;
     2295        mso-level-tab-stop:none;
     2296        mso-level-number-position:left;
     2297        text-indent:-.25in;
     2298        font-family:Wingdings;}
     2299@list l15:level7
     2300        {mso-level-number-format:bullet;
     2301        mso-level-text:;
     2302        mso-level-tab-stop:none;
     2303        mso-level-number-position:left;
     2304        text-indent:-.25in;
     2305        font-family:Symbol;}
     2306@list l15:level8
     2307        {mso-level-number-format:bullet;
     2308        mso-level-text:o;
     2309        mso-level-tab-stop:none;
     2310        mso-level-number-position:left;
     2311        text-indent:-.25in;
     2312        font-family:"Courier New";}
     2313@list l15:level9
     2314        {mso-level-number-format:bullet;
     2315        mso-level-text:;
     2316        mso-level-tab-stop:none;
     2317        mso-level-number-position:left;
     2318        text-indent:-.25in;
     2319        font-family:Wingdings;}
     2320@list l16
     2321        {mso-list-id:1187406725;
     2322        mso-list-type:hybrid;
     2323        mso-list-template-ids:-1113580080 2095754310 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     2324@list l16:level1
     2325        {mso-level-tab-stop:none;
     2326        mso-level-number-position:left;
     2327        margin-left:.25in;
     2328        text-indent:-.25in;}
     2329@list l16:level2
     2330        {mso-level-number-format:alpha-lower;
     2331        mso-level-tab-stop:none;
     2332        mso-level-number-position:left;
     2333        text-indent:-.25in;}
     2334@list l16:level3
    14662335        {mso-level-number-format:roman-lower;
    14672336        mso-level-tab-stop:none;
    14682337        mso-level-number-position:right;
    14692338        text-indent:-9.0pt;}
    1470 @list l2:level4
     2339@list l16:level4
    14712340        {mso-level-tab-stop:none;
    14722341        mso-level-number-position:left;
    14732342        text-indent:-.25in;}
    1474 @list l2:level5
     2343@list l16:level5
    14752344        {mso-level-number-format:alpha-lower;
    14762345        mso-level-tab-stop:none;
    14772346        mso-level-number-position:left;
    14782347        text-indent:-.25in;}
    1479 @list l2:level6
     2348@list l16:level6
    14802349        {mso-level-number-format:roman-lower;
    14812350        mso-level-tab-stop:none;
    14822351        mso-level-number-position:right;
    14832352        text-indent:-9.0pt;}
    1484 @list l2:level7
     2353@list l16:level7
    14852354        {mso-level-tab-stop:none;
    14862355        mso-level-number-position:left;
    14872356        text-indent:-.25in;}
    1488 @list l2:level8
     2357@list l16:level8
    14892358        {mso-level-number-format:alpha-lower;
    14902359        mso-level-tab-stop:none;
    14912360        mso-level-number-position:left;
    14922361        text-indent:-.25in;}
    1493 @list l2:level9
     2362@list l16:level9
    14942363        {mso-level-number-format:roman-lower;
    14952364        mso-level-tab-stop:none;
    14962365        mso-level-number-position:right;
    14972366        text-indent:-9.0pt;}
    1498 @list l3
    1499         {mso-list-id:617220658;
     2367@list l17
     2368        {mso-list-id:1216700424;
    15002369        mso-list-type:hybrid;
    1501         mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1502 @list l3:level1
    1503         {mso-level-tab-stop:none;
    1504         mso-level-number-position:left;
    1505         text-indent:-.25in;}
    1506 @list l3:level2
    1507         {mso-level-tab-stop:1.0in;
    1508         mso-level-number-position:left;
    1509         text-indent:-.25in;}
    1510 @list l3:level3
    1511         {mso-level-tab-stop:1.5in;
    1512         mso-level-number-position:left;
    1513         text-indent:-.25in;}
    1514 @list l3:level4
    1515         {mso-level-tab-stop:2.0in;
    1516         mso-level-number-position:left;
    1517         text-indent:-.25in;}
    1518 @list l3:level5
    1519         {mso-level-tab-stop:2.5in;
    1520         mso-level-number-position:left;
    1521         text-indent:-.25in;}
    1522 @list l3:level6
    1523         {mso-level-tab-stop:3.0in;
    1524         mso-level-number-position:left;
    1525         text-indent:-.25in;}
    1526 @list l3:level7
    1527         {mso-level-tab-stop:3.5in;
    1528         mso-level-number-position:left;
    1529         text-indent:-.25in;}
    1530 @list l3:level8
    1531         {mso-level-tab-stop:4.0in;
    1532         mso-level-number-position:left;
    1533         text-indent:-.25in;}
    1534 @list l3:level9
    1535         {mso-level-tab-stop:4.5in;
    1536         mso-level-number-position:left;
    1537         text-indent:-.25in;}
    1538 @list l4
    1539         {mso-list-id:627862681;
    1540         mso-list-template-ids:-747337128;}
    1541 @list l4:level1
    1542         {mso-level-tab-stop:.5in;
    1543         mso-level-number-position:left;
    1544         text-indent:-.25in;}
    1545 @list l4:level2
    1546         {mso-level-tab-stop:1.0in;
    1547         mso-level-number-position:left;
    1548         text-indent:-.25in;}
    1549 @list l4:level3
    1550         {mso-level-tab-stop:1.5in;
    1551         mso-level-number-position:left;
    1552         text-indent:-.25in;}
    1553 @list l4:level4
    1554         {mso-level-tab-stop:2.0in;
    1555         mso-level-number-position:left;
    1556         text-indent:-.25in;}
    1557 @list l4:level5
    1558         {mso-level-tab-stop:2.5in;
    1559         mso-level-number-position:left;
    1560         text-indent:-.25in;}
    1561 @list l4:level6
    1562         {mso-level-tab-stop:3.0in;
    1563         mso-level-number-position:left;
    1564         text-indent:-.25in;}
    1565 @list l4:level7
    1566         {mso-level-tab-stop:3.5in;
    1567         mso-level-number-position:left;
    1568         text-indent:-.25in;}
    1569 @list l4:level8
    1570         {mso-level-tab-stop:4.0in;
    1571         mso-level-number-position:left;
    1572         text-indent:-.25in;}
    1573 @list l4:level9
    1574         {mso-level-tab-stop:4.5in;
    1575         mso-level-number-position:left;
    1576         text-indent:-.25in;}
    1577 @list l5
    1578         {mso-list-id:919948450;
    1579         mso-list-template-ids:-445226636;}
    1580 @list l5:level1
    1581         {mso-level-tab-stop:none;
    1582         mso-level-number-position:left;
    1583         text-indent:-.25in;}
    1584 @list l5:level2
     2370        mso-list-template-ids:-833823488 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2371@list l17:level1
     2372        {mso-level-number-format:bullet;
     2373        mso-level-text:;
     2374        mso-level-tab-stop:none;
     2375        mso-level-number-position:left;
     2376        text-indent:-.25in;
     2377        font-family:Symbol;}
     2378@list l17:level2
     2379        {mso-level-number-format:bullet;
     2380        mso-level-text:o;
     2381        mso-level-tab-stop:none;
     2382        mso-level-number-position:left;
     2383        text-indent:-.25in;
     2384        font-family:"Courier New";}
     2385@list l17:level3
     2386        {mso-level-number-format:bullet;
     2387        mso-level-text:;
     2388        mso-level-tab-stop:none;
     2389        mso-level-number-position:left;
     2390        text-indent:-.25in;
     2391        font-family:Wingdings;}
     2392@list l17:level4
     2393        {mso-level-number-format:bullet;
     2394        mso-level-text:;
     2395        mso-level-tab-stop:none;
     2396        mso-level-number-position:left;
     2397        text-indent:-.25in;
     2398        font-family:Symbol;}
     2399@list l17:level5
     2400        {mso-level-number-format:bullet;
     2401        mso-level-text:o;
     2402        mso-level-tab-stop:none;
     2403        mso-level-number-position:left;
     2404        text-indent:-.25in;
     2405        font-family:"Courier New";}
     2406@list l17:level6
     2407        {mso-level-number-format:bullet;
     2408        mso-level-text:;
     2409        mso-level-tab-stop:none;
     2410        mso-level-number-position:left;
     2411        text-indent:-.25in;
     2412        font-family:Wingdings;}
     2413@list l17:level7
     2414        {mso-level-number-format:bullet;
     2415        mso-level-text:;
     2416        mso-level-tab-stop:none;
     2417        mso-level-number-position:left;
     2418        text-indent:-.25in;
     2419        font-family:Symbol;}
     2420@list l17:level8
     2421        {mso-level-number-format:bullet;
     2422        mso-level-text:o;
     2423        mso-level-tab-stop:none;
     2424        mso-level-number-position:left;
     2425        text-indent:-.25in;
     2426        font-family:"Courier New";}
     2427@list l17:level9
     2428        {mso-level-number-format:bullet;
     2429        mso-level-text:;
     2430        mso-level-tab-stop:none;
     2431        mso-level-number-position:left;
     2432        text-indent:-.25in;
     2433        font-family:Wingdings;}
     2434@list l18
     2435        {mso-list-id:1292785964;
     2436        mso-list-type:hybrid;
     2437        mso-list-template-ids:2073086444 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2438@list l18:level1
     2439        {mso-level-number-format:bullet;
     2440        mso-level-text:;
     2441        mso-level-tab-stop:none;
     2442        mso-level-number-position:left;
     2443        text-indent:-.25in;
     2444        font-family:Symbol;}
     2445@list l18:level2
     2446        {mso-level-number-format:bullet;
     2447        mso-level-text:o;
     2448        mso-level-tab-stop:none;
     2449        mso-level-number-position:left;
     2450        text-indent:-.25in;
     2451        font-family:"Courier New";}
     2452@list l18:level3
     2453        {mso-level-number-format:bullet;
     2454        mso-level-text:;
     2455        mso-level-tab-stop:none;
     2456        mso-level-number-position:left;
     2457        text-indent:-.25in;
     2458        font-family:Wingdings;}
     2459@list l18:level4
     2460        {mso-level-number-format:bullet;
     2461        mso-level-text:;
     2462        mso-level-tab-stop:none;
     2463        mso-level-number-position:left;
     2464        text-indent:-.25in;
     2465        font-family:Symbol;}
     2466@list l18:level5
     2467        {mso-level-number-format:bullet;
     2468        mso-level-text:o;
     2469        mso-level-tab-stop:none;
     2470        mso-level-number-position:left;
     2471        text-indent:-.25in;
     2472        font-family:"Courier New";}
     2473@list l18:level6
     2474        {mso-level-number-format:bullet;
     2475        mso-level-text:;
     2476        mso-level-tab-stop:none;
     2477        mso-level-number-position:left;
     2478        text-indent:-.25in;
     2479        font-family:Wingdings;}
     2480@list l18:level7
     2481        {mso-level-number-format:bullet;
     2482        mso-level-text:;
     2483        mso-level-tab-stop:none;
     2484        mso-level-number-position:left;
     2485        text-indent:-.25in;
     2486        font-family:Symbol;}
     2487@list l18:level8
     2488        {mso-level-number-format:bullet;
     2489        mso-level-text:o;
     2490        mso-level-tab-stop:none;
     2491        mso-level-number-position:left;
     2492        text-indent:-.25in;
     2493        font-family:"Courier New";}
     2494@list l18:level9
     2495        {mso-level-number-format:bullet;
     2496        mso-level-text:;
     2497        mso-level-tab-stop:none;
     2498        mso-level-number-position:left;
     2499        text-indent:-.25in;
     2500        font-family:Wingdings;}
     2501@list l19
     2502        {mso-list-id:1415779632;
     2503        mso-list-type:hybrid;
     2504        mso-list-template-ids:248410096 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2505@list l19:level1
     2506        {mso-level-number-format:bullet;
     2507        mso-level-text:;
     2508        mso-level-tab-stop:none;
     2509        mso-level-number-position:left;
     2510        text-indent:-.25in;
     2511        font-family:Symbol;}
     2512@list l19:level2
     2513        {mso-level-number-format:bullet;
     2514        mso-level-text:o;
     2515        mso-level-tab-stop:none;
     2516        mso-level-number-position:left;
     2517        text-indent:-.25in;
     2518        font-family:"Courier New";}
     2519@list l19:level3
     2520        {mso-level-number-format:bullet;
     2521        mso-level-text:;
     2522        mso-level-tab-stop:none;
     2523        mso-level-number-position:left;
     2524        text-indent:-.25in;
     2525        font-family:Wingdings;}
     2526@list l19:level4
     2527        {mso-level-number-format:bullet;
     2528        mso-level-text:;
     2529        mso-level-tab-stop:none;
     2530        mso-level-number-position:left;
     2531        text-indent:-.25in;
     2532        font-family:Symbol;}
     2533@list l19:level5
     2534        {mso-level-number-format:bullet;
     2535        mso-level-text:o;
     2536        mso-level-tab-stop:none;
     2537        mso-level-number-position:left;
     2538        text-indent:-.25in;
     2539        font-family:"Courier New";}
     2540@list l19:level6
     2541        {mso-level-number-format:bullet;
     2542        mso-level-text:;
     2543        mso-level-tab-stop:none;
     2544        mso-level-number-position:left;
     2545        text-indent:-.25in;
     2546        font-family:Wingdings;}
     2547@list l19:level7
     2548        {mso-level-number-format:bullet;
     2549        mso-level-text:;
     2550        mso-level-tab-stop:none;
     2551        mso-level-number-position:left;
     2552        text-indent:-.25in;
     2553        font-family:Symbol;}
     2554@list l19:level8
     2555        {mso-level-number-format:bullet;
     2556        mso-level-text:o;
     2557        mso-level-tab-stop:none;
     2558        mso-level-number-position:left;
     2559        text-indent:-.25in;
     2560        font-family:"Courier New";}
     2561@list l19:level9
     2562        {mso-level-number-format:bullet;
     2563        mso-level-text:;
     2564        mso-level-tab-stop:none;
     2565        mso-level-number-position:left;
     2566        text-indent:-.25in;
     2567        font-family:Wingdings;}
     2568@list l20
     2569        {mso-list-id:1453864485;
     2570        mso-list-template-ids:447663268;}
     2571@list l20:level1
     2572        {mso-level-number-format:bullet;
     2573        mso-level-text:;
     2574        mso-level-tab-stop:none;
     2575        mso-level-number-position:left;
     2576        margin-left:27.8pt;
     2577        text-indent:-.25in;
     2578        font-family:Symbol;}
     2579@list l20:level2
     2580        {mso-level-number-format:bullet;
     2581        mso-level-text:o;
     2582        mso-level-tab-stop:63.8pt;
     2583        mso-level-number-position:left;
     2584        margin-left:63.8pt;
     2585        text-indent:-.25in;
     2586        font-family:"Courier New";}
     2587@list l20:level3
     2588        {mso-level-tab-stop:99.8pt;
     2589        mso-level-number-position:left;
     2590        margin-left:99.8pt;
     2591        text-indent:-.25in;}
     2592@list l20:level4
     2593        {mso-level-number-format:alpha-lower;
     2594        mso-level-tab-stop:135.8pt;
     2595        mso-level-number-position:left;
     2596        margin-left:135.8pt;
     2597        text-indent:-.25in;}
     2598@list l20:level5
     2599        {mso-level-tab-stop:171.8pt;
     2600        mso-level-number-position:left;
     2601        margin-left:171.8pt;
     2602        text-indent:-.25in;}
     2603@list l20:level6
     2604        {mso-level-tab-stop:207.8pt;
     2605        mso-level-number-position:left;
     2606        margin-left:207.8pt;
     2607        text-indent:-.25in;}
     2608@list l20:level7
     2609        {mso-level-tab-stop:243.8pt;
     2610        mso-level-number-position:left;
     2611        margin-left:243.8pt;
     2612        text-indent:-.25in;}
     2613@list l20:level8
     2614        {mso-level-tab-stop:279.8pt;
     2615        mso-level-number-position:left;
     2616        margin-left:279.8pt;
     2617        text-indent:-.25in;}
     2618@list l20:level9
     2619        {mso-level-tab-stop:315.8pt;
     2620        mso-level-number-position:left;
     2621        margin-left:315.8pt;
     2622        text-indent:-.25in;}
     2623@list l21
     2624        {mso-list-id:1462574089;
     2625        mso-list-template-ids:-1689586654;}
     2626@list l21:level1
     2627        {mso-level-number-format:bullet;
     2628        mso-level-text:;
     2629        mso-level-tab-stop:none;
     2630        mso-level-number-position:left;
     2631        text-indent:-.25in;
     2632        font-family:Symbol;}
     2633@list l21:level2
    15852634        {mso-level-number-format:alpha-lower;
    15862635        mso-level-tab-stop:1.0in;
    15872636        mso-level-number-position:left;
    15882637        text-indent:-.25in;}
    1589 @list l5:level3
     2638@list l21:level3
    15902639        {mso-level-tab-stop:1.5in;
    15912640        mso-level-number-position:left;
    15922641        text-indent:-.25in;}
    1593 @list l5:level4
     2642@list l21:level4
    15942643        {mso-level-number-format:alpha-lower;
    15952644        mso-level-tab-stop:2.0in;
    15962645        mso-level-number-position:left;
    15972646        text-indent:-.25in;}
    1598 @list l5:level5
     2647@list l21:level5
    15992648        {mso-level-tab-stop:2.5in;
    16002649        mso-level-number-position:left;
    16012650        text-indent:-.25in;}
    1602 @list l5:level6
     2651@list l21:level6
    16032652        {mso-level-tab-stop:3.0in;
    16042653        mso-level-number-position:left;
    16052654        text-indent:-.25in;}
    1606 @list l5:level7
     2655@list l21:level7
    16072656        {mso-level-tab-stop:3.5in;
    16082657        mso-level-number-position:left;
    16092658        text-indent:-.25in;}
    1610 @list l5:level8
     2659@list l21:level8
    16112660        {mso-level-tab-stop:4.0in;
    16122661        mso-level-number-position:left;
    16132662        text-indent:-.25in;}
    1614 @list l5:level9
     2663@list l21:level9
    16152664        {mso-level-tab-stop:4.5in;
    16162665        mso-level-number-position:left;
    16172666        text-indent:-.25in;}
    1618 @list l6
    1619         {mso-list-id:1005204035;
    1620         mso-list-template-ids:-445226636;}
    1621 @list l6:level1
     2667@list l22
     2668        {mso-list-id:1468281161;
     2669        mso-list-template-ids:447663268;}
     2670@list l22:level1
     2671        {mso-level-number-format:bullet;
     2672        mso-level-text:;
     2673        mso-level-tab-stop:none;
     2674        mso-level-number-position:left;
     2675        margin-left:27.8pt;
     2676        text-indent:-.25in;
     2677        font-family:Symbol;}
     2678@list l22:level2
     2679        {mso-level-number-format:bullet;
     2680        mso-level-text:o;
     2681        mso-level-tab-stop:63.8pt;
     2682        mso-level-number-position:left;
     2683        margin-left:63.8pt;
     2684        text-indent:-.25in;
     2685        font-family:"Courier New";}
     2686@list l22:level3
     2687        {mso-level-tab-stop:99.8pt;
     2688        mso-level-number-position:left;
     2689        margin-left:99.8pt;
     2690        text-indent:-.25in;}
     2691@list l22:level4
     2692        {mso-level-number-format:alpha-lower;
     2693        mso-level-tab-stop:135.8pt;
     2694        mso-level-number-position:left;
     2695        margin-left:135.8pt;
     2696        text-indent:-.25in;}
     2697@list l22:level5
     2698        {mso-level-tab-stop:171.8pt;
     2699        mso-level-number-position:left;
     2700        margin-left:171.8pt;
     2701        text-indent:-.25in;}
     2702@list l22:level6
     2703        {mso-level-tab-stop:207.8pt;
     2704        mso-level-number-position:left;
     2705        margin-left:207.8pt;
     2706        text-indent:-.25in;}
     2707@list l22:level7
     2708        {mso-level-tab-stop:243.8pt;
     2709        mso-level-number-position:left;
     2710        margin-left:243.8pt;
     2711        text-indent:-.25in;}
     2712@list l22:level8
     2713        {mso-level-tab-stop:279.8pt;
     2714        mso-level-number-position:left;
     2715        margin-left:279.8pt;
     2716        text-indent:-.25in;}
     2717@list l22:level9
     2718        {mso-level-tab-stop:315.8pt;
     2719        mso-level-number-position:left;
     2720        margin-left:315.8pt;
     2721        text-indent:-.25in;}
     2722@list l23
     2723        {mso-list-id:1533492749;
     2724        mso-list-template-ids:447663268;}
     2725@list l23:level1
     2726        {mso-level-number-format:bullet;
     2727        mso-level-text:;
     2728        mso-level-tab-stop:none;
     2729        mso-level-number-position:left;
     2730        margin-left:27.8pt;
     2731        text-indent:-.25in;
     2732        font-family:Symbol;}
     2733@list l23:level2
     2734        {mso-level-number-format:bullet;
     2735        mso-level-text:o;
     2736        mso-level-tab-stop:63.8pt;
     2737        mso-level-number-position:left;
     2738        margin-left:63.8pt;
     2739        text-indent:-.25in;
     2740        font-family:"Courier New";}
     2741@list l23:level3
     2742        {mso-level-tab-stop:99.8pt;
     2743        mso-level-number-position:left;
     2744        margin-left:99.8pt;
     2745        text-indent:-.25in;}
     2746@list l23:level4
     2747        {mso-level-number-format:alpha-lower;
     2748        mso-level-tab-stop:135.8pt;
     2749        mso-level-number-position:left;
     2750        margin-left:135.8pt;
     2751        text-indent:-.25in;}
     2752@list l23:level5
     2753        {mso-level-tab-stop:171.8pt;
     2754        mso-level-number-position:left;
     2755        margin-left:171.8pt;
     2756        text-indent:-.25in;}
     2757@list l23:level6
     2758        {mso-level-tab-stop:207.8pt;
     2759        mso-level-number-position:left;
     2760        margin-left:207.8pt;
     2761        text-indent:-.25in;}
     2762@list l23:level7
     2763        {mso-level-tab-stop:243.8pt;
     2764        mso-level-number-position:left;
     2765        margin-left:243.8pt;
     2766        text-indent:-.25in;}
     2767@list l23:level8
     2768        {mso-level-tab-stop:279.8pt;
     2769        mso-level-number-position:left;
     2770        margin-left:279.8pt;
     2771        text-indent:-.25in;}
     2772@list l23:level9
     2773        {mso-level-tab-stop:315.8pt;
     2774        mso-level-number-position:left;
     2775        margin-left:315.8pt;
     2776        text-indent:-.25in;}
     2777@list l24
     2778        {mso-list-id:1616211699;
     2779        mso-list-type:hybrid;
     2780        mso-list-template-ids:-2067389332 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2781@list l24:level1
     2782        {mso-level-number-format:bullet;
     2783        mso-level-text:;
     2784        mso-level-tab-stop:none;
     2785        mso-level-number-position:left;
     2786        text-indent:-.25in;
     2787        font-family:Symbol;}
     2788@list l24:level2
     2789        {mso-level-number-format:bullet;
     2790        mso-level-text:o;
     2791        mso-level-tab-stop:none;
     2792        mso-level-number-position:left;
     2793        text-indent:-.25in;
     2794        font-family:"Courier New";}
     2795@list l24:level3
     2796        {mso-level-number-format:bullet;
     2797        mso-level-text:;
     2798        mso-level-tab-stop:none;
     2799        mso-level-number-position:left;
     2800        text-indent:-.25in;
     2801        font-family:Wingdings;}
     2802@list l24:level4
     2803        {mso-level-number-format:bullet;
     2804        mso-level-text:;
     2805        mso-level-tab-stop:none;
     2806        mso-level-number-position:left;
     2807        text-indent:-.25in;
     2808        font-family:Symbol;}
     2809@list l24:level5
     2810        {mso-level-number-format:bullet;
     2811        mso-level-text:o;
     2812        mso-level-tab-stop:none;
     2813        mso-level-number-position:left;
     2814        text-indent:-.25in;
     2815        font-family:"Courier New";}
     2816@list l24:level6
     2817        {mso-level-number-format:bullet;
     2818        mso-level-text:;
     2819        mso-level-tab-stop:none;
     2820        mso-level-number-position:left;
     2821        text-indent:-.25in;
     2822        font-family:Wingdings;}
     2823@list l24:level7
     2824        {mso-level-number-format:bullet;
     2825        mso-level-text:;
     2826        mso-level-tab-stop:none;
     2827        mso-level-number-position:left;
     2828        text-indent:-.25in;
     2829        font-family:Symbol;}
     2830@list l24:level8
     2831        {mso-level-number-format:bullet;
     2832        mso-level-text:o;
     2833        mso-level-tab-stop:none;
     2834        mso-level-number-position:left;
     2835        text-indent:-.25in;
     2836        font-family:"Courier New";}
     2837@list l24:level9
     2838        {mso-level-number-format:bullet;
     2839        mso-level-text:;
     2840        mso-level-tab-stop:none;
     2841        mso-level-number-position:left;
     2842        text-indent:-.25in;
     2843        font-family:Wingdings;}
     2844@list l25
     2845        {mso-list-id:1624731645;
     2846        mso-list-type:hybrid;
     2847        mso-list-template-ids:895784146 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2848@list l25:level1
     2849        {mso-level-number-format:bullet;
     2850        mso-level-text:;
     2851        mso-level-tab-stop:none;
     2852        mso-level-number-position:left;
     2853        text-indent:-.25in;
     2854        font-family:Symbol;}
     2855@list l25:level2
     2856        {mso-level-number-format:bullet;
     2857        mso-level-text:o;
     2858        mso-level-tab-stop:none;
     2859        mso-level-number-position:left;
     2860        text-indent:-.25in;
     2861        font-family:"Courier New";}
     2862@list l25:level3
     2863        {mso-level-number-format:bullet;
     2864        mso-level-text:;
     2865        mso-level-tab-stop:none;
     2866        mso-level-number-position:left;
     2867        text-indent:-.25in;
     2868        font-family:Wingdings;}
     2869@list l25:level4
     2870        {mso-level-number-format:bullet;
     2871        mso-level-text:;
     2872        mso-level-tab-stop:none;
     2873        mso-level-number-position:left;
     2874        text-indent:-.25in;
     2875        font-family:Symbol;}
     2876@list l25:level5
     2877        {mso-level-number-format:bullet;
     2878        mso-level-text:o;
     2879        mso-level-tab-stop:none;
     2880        mso-level-number-position:left;
     2881        text-indent:-.25in;
     2882        font-family:"Courier New";}
     2883@list l25:level6
     2884        {mso-level-number-format:bullet;
     2885        mso-level-text:;
     2886        mso-level-tab-stop:none;
     2887        mso-level-number-position:left;
     2888        text-indent:-.25in;
     2889        font-family:Wingdings;}
     2890@list l25:level7
     2891        {mso-level-number-format:bullet;
     2892        mso-level-text:;
     2893        mso-level-tab-stop:none;
     2894        mso-level-number-position:left;
     2895        text-indent:-.25in;
     2896        font-family:Symbol;}
     2897@list l25:level8
     2898        {mso-level-number-format:bullet;
     2899        mso-level-text:o;
     2900        mso-level-tab-stop:none;
     2901        mso-level-number-position:left;
     2902        text-indent:-.25in;
     2903        font-family:"Courier New";}
     2904@list l25:level9
     2905        {mso-level-number-format:bullet;
     2906        mso-level-text:;
     2907        mso-level-tab-stop:none;
     2908        mso-level-number-position:left;
     2909        text-indent:-.25in;
     2910        font-family:Wingdings;}
     2911@list l26
     2912        {mso-list-id:1723938791;
     2913        mso-list-type:hybrid;
     2914        mso-list-template-ids:-1285799630 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2915@list l26:level1
     2916        {mso-level-number-format:bullet;
     2917        mso-level-text:;
     2918        mso-level-tab-stop:none;
     2919        mso-level-number-position:left;
     2920        margin-left:40.5pt;
     2921        text-indent:-.25in;
     2922        font-family:Symbol;}
     2923@list l26:level2
     2924        {mso-level-number-format:bullet;
     2925        mso-level-text:o;
     2926        mso-level-tab-stop:none;
     2927        mso-level-number-position:left;
     2928        margin-left:76.5pt;
     2929        text-indent:-.25in;
     2930        font-family:"Courier New";}
     2931@list l26:level3
     2932        {mso-level-number-format:bullet;
     2933        mso-level-text:;
     2934        mso-level-tab-stop:none;
     2935        mso-level-number-position:left;
     2936        margin-left:112.5pt;
     2937        text-indent:-.25in;
     2938        font-family:Wingdings;}
     2939@list l26:level4
     2940        {mso-level-number-format:bullet;
     2941        mso-level-text:;
     2942        mso-level-tab-stop:none;
     2943        mso-level-number-position:left;
     2944        margin-left:148.5pt;
     2945        text-indent:-.25in;
     2946        font-family:Symbol;}
     2947@list l26:level5
     2948        {mso-level-number-format:bullet;
     2949        mso-level-text:o;
     2950        mso-level-tab-stop:none;
     2951        mso-level-number-position:left;
     2952        margin-left:184.5pt;
     2953        text-indent:-.25in;
     2954        font-family:"Courier New";}
     2955@list l26:level6
     2956        {mso-level-number-format:bullet;
     2957        mso-level-text:;
     2958        mso-level-tab-stop:none;
     2959        mso-level-number-position:left;
     2960        margin-left:220.5pt;
     2961        text-indent:-.25in;
     2962        font-family:Wingdings;}
     2963@list l26:level7
     2964        {mso-level-number-format:bullet;
     2965        mso-level-text:;
     2966        mso-level-tab-stop:none;
     2967        mso-level-number-position:left;
     2968        margin-left:256.5pt;
     2969        text-indent:-.25in;
     2970        font-family:Symbol;}
     2971@list l26:level8
     2972        {mso-level-number-format:bullet;
     2973        mso-level-text:o;
     2974        mso-level-tab-stop:none;
     2975        mso-level-number-position:left;
     2976        margin-left:292.5pt;
     2977        text-indent:-.25in;
     2978        font-family:"Courier New";}
     2979@list l26:level9
     2980        {mso-level-number-format:bullet;
     2981        mso-level-text:;
     2982        mso-level-tab-stop:none;
     2983        mso-level-number-position:left;
     2984        margin-left:328.5pt;
     2985        text-indent:-.25in;
     2986        font-family:Wingdings;}
     2987@list l27
     2988        {mso-list-id:1733582165;
     2989        mso-list-type:hybrid;
     2990        mso-list-template-ids:-1539031528 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     2991@list l27:level1
     2992        {mso-level-number-format:bullet;
     2993        mso-level-text:;
     2994        mso-level-tab-stop:none;
     2995        mso-level-number-position:left;
     2996        text-indent:-.25in;
     2997        font-family:Symbol;}
     2998@list l27:level2
     2999        {mso-level-number-format:bullet;
     3000        mso-level-text:o;
     3001        mso-level-tab-stop:none;
     3002        mso-level-number-position:left;
     3003        text-indent:-.25in;
     3004        font-family:"Courier New";}
     3005@list l27:level3
     3006        {mso-level-number-format:bullet;
     3007        mso-level-text:;
     3008        mso-level-tab-stop:none;
     3009        mso-level-number-position:left;
     3010        text-indent:-.25in;
     3011        font-family:Wingdings;}
     3012@list l27:level4
     3013        {mso-level-number-format:bullet;
     3014        mso-level-text:;
     3015        mso-level-tab-stop:none;
     3016        mso-level-number-position:left;
     3017        text-indent:-.25in;
     3018        font-family:Symbol;}
     3019@list l27:level5
     3020        {mso-level-number-format:bullet;
     3021        mso-level-text:o;
     3022        mso-level-tab-stop:none;
     3023        mso-level-number-position:left;
     3024        text-indent:-.25in;
     3025        font-family:"Courier New";}
     3026@list l27:level6
     3027        {mso-level-number-format:bullet;
     3028        mso-level-text:;
     3029        mso-level-tab-stop:none;
     3030        mso-level-number-position:left;
     3031        text-indent:-.25in;
     3032        font-family:Wingdings;}
     3033@list l27:level7
     3034        {mso-level-number-format:bullet;
     3035        mso-level-text:;
     3036        mso-level-tab-stop:none;
     3037        mso-level-number-position:left;
     3038        text-indent:-.25in;
     3039        font-family:Symbol;}
     3040@list l27:level8
     3041        {mso-level-number-format:bullet;
     3042        mso-level-text:o;
     3043        mso-level-tab-stop:none;
     3044        mso-level-number-position:left;
     3045        text-indent:-.25in;
     3046        font-family:"Courier New";}
     3047@list l27:level9
     3048        {mso-level-number-format:bullet;
     3049        mso-level-text:;
     3050        mso-level-tab-stop:none;
     3051        mso-level-number-position:left;
     3052        text-indent:-.25in;
     3053        font-family:Wingdings;}
     3054@list l28
     3055        {mso-list-id:1771925107;
     3056        mso-list-type:hybrid;
     3057        mso-list-template-ids:285404920 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3058@list l28:level1
     3059        {mso-level-number-format:bullet;
     3060        mso-level-text:;
     3061        mso-level-tab-stop:none;
     3062        mso-level-number-position:left;
     3063        text-indent:-.25in;
     3064        font-family:Symbol;}
     3065@list l28:level2
     3066        {mso-level-number-format:bullet;
     3067        mso-level-text:o;
     3068        mso-level-tab-stop:none;
     3069        mso-level-number-position:left;
     3070        text-indent:-.25in;
     3071        font-family:"Courier New";}
     3072@list l28:level3
     3073        {mso-level-number-format:bullet;
     3074        mso-level-text:;
     3075        mso-level-tab-stop:none;
     3076        mso-level-number-position:left;
     3077        text-indent:-.25in;
     3078        font-family:Wingdings;}
     3079@list l28:level4
     3080        {mso-level-number-format:bullet;
     3081        mso-level-text:;
     3082        mso-level-tab-stop:none;
     3083        mso-level-number-position:left;
     3084        text-indent:-.25in;
     3085        font-family:Symbol;}
     3086@list l28:level5
     3087        {mso-level-number-format:bullet;
     3088        mso-level-text:o;
     3089        mso-level-tab-stop:none;
     3090        mso-level-number-position:left;
     3091        text-indent:-.25in;
     3092        font-family:"Courier New";}
     3093@list l28:level6
     3094        {mso-level-number-format:bullet;
     3095        mso-level-text:;
     3096        mso-level-tab-stop:none;
     3097        mso-level-number-position:left;
     3098        text-indent:-.25in;
     3099        font-family:Wingdings;}
     3100@list l28:level7
     3101        {mso-level-number-format:bullet;
     3102        mso-level-text:;
     3103        mso-level-tab-stop:none;
     3104        mso-level-number-position:left;
     3105        text-indent:-.25in;
     3106        font-family:Symbol;}
     3107@list l28:level8
     3108        {mso-level-number-format:bullet;
     3109        mso-level-text:o;
     3110        mso-level-tab-stop:none;
     3111        mso-level-number-position:left;
     3112        text-indent:-.25in;
     3113        font-family:"Courier New";}
     3114@list l28:level9
     3115        {mso-level-number-format:bullet;
     3116        mso-level-text:;
     3117        mso-level-tab-stop:none;
     3118        mso-level-number-position:left;
     3119        text-indent:-.25in;
     3120        font-family:Wingdings;}
     3121@list l29
     3122        {mso-list-id:1833913033;
     3123        mso-list-type:hybrid;
     3124        mso-list-template-ids:-1886771626 67698689 67698689 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3125@list l29:level1
     3126        {mso-level-number-format:bullet;
     3127        mso-level-text:;
     3128        mso-level-tab-stop:none;
     3129        mso-level-number-position:left;
     3130        text-indent:-.25in;
     3131        font-family:Symbol;}
     3132@list l29:level2
     3133        {mso-level-number-format:bullet;
     3134        mso-level-text:;
     3135        mso-level-tab-stop:none;
     3136        mso-level-number-position:left;
     3137        text-indent:-.25in;
     3138        font-family:Symbol;}
     3139@list l29:level3
     3140        {mso-level-number-format:bullet;
     3141        mso-level-text:;
     3142        mso-level-tab-stop:none;
     3143        mso-level-number-position:left;
     3144        text-indent:-.25in;
     3145        font-family:Wingdings;}
     3146@list l29:level4
     3147        {mso-level-number-format:bullet;
     3148        mso-level-text:;
     3149        mso-level-tab-stop:none;
     3150        mso-level-number-position:left;
     3151        text-indent:-.25in;
     3152        font-family:Symbol;}
     3153@list l29:level5
     3154        {mso-level-number-format:bullet;
     3155        mso-level-text:o;
     3156        mso-level-tab-stop:none;
     3157        mso-level-number-position:left;
     3158        text-indent:-.25in;
     3159        font-family:"Courier New";}
     3160@list l29:level6
     3161        {mso-level-number-format:bullet;
     3162        mso-level-text:;
     3163        mso-level-tab-stop:none;
     3164        mso-level-number-position:left;
     3165        text-indent:-.25in;
     3166        font-family:Wingdings;}
     3167@list l29:level7
     3168        {mso-level-number-format:bullet;
     3169        mso-level-text:;
     3170        mso-level-tab-stop:none;
     3171        mso-level-number-position:left;
     3172        text-indent:-.25in;
     3173        font-family:Symbol;}
     3174@list l29:level8
     3175        {mso-level-number-format:bullet;
     3176        mso-level-text:o;
     3177        mso-level-tab-stop:none;
     3178        mso-level-number-position:left;
     3179        text-indent:-.25in;
     3180        font-family:"Courier New";}
     3181@list l29:level9
     3182        {mso-level-number-format:bullet;
     3183        mso-level-text:;
     3184        mso-level-tab-stop:none;
     3185        mso-level-number-position:left;
     3186        text-indent:-.25in;
     3187        font-family:Wingdings;}
     3188@list l30
     3189        {mso-list-id:1886597019;
     3190        mso-list-type:hybrid;
     3191        mso-list-template-ids:-1592760982 67698703 734674336 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     3192@list l30:level1
    16223193        {mso-level-tab-stop:none;
    16233194        mso-level-number-position:left;
    1624         margin-left:63.8pt;
    1625         text-indent:-.25in;}
    1626 @list l6:level2
     3195        margin-left:.25in;
     3196        text-indent:-.25in;}
     3197@list l30:level2
     3198        {mso-level-text:"\(%2\)";
     3199        mso-level-tab-stop:none;
     3200        mso-level-number-position:left;
     3201        margin-left:.75in;
     3202        text-indent:-.25in;}
     3203@list l30:level3
     3204        {mso-level-number-format:roman-lower;
     3205        mso-level-tab-stop:none;
     3206        mso-level-number-position:right;
     3207        margin-left:1.25in;
     3208        text-indent:-9.0pt;}
     3209@list l30:level4
     3210        {mso-level-tab-stop:none;
     3211        mso-level-number-position:left;
     3212        margin-left:1.75in;
     3213        text-indent:-.25in;}
     3214@list l30:level5
    16273215        {mso-level-number-format:alpha-lower;
    1628         mso-level-tab-stop:99.8pt;
    1629         mso-level-number-position:left;
    1630         margin-left:99.8pt;
    1631         text-indent:-.25in;}
    1632 @list l6:level3
    1633         {mso-level-tab-stop:135.8pt;
    1634         mso-level-number-position:left;
    1635         margin-left:135.8pt;
    1636         text-indent:-.25in;}
    1637 @list l6:level4
     3216        mso-level-tab-stop:none;
     3217        mso-level-number-position:left;
     3218        margin-left:2.25in;
     3219        text-indent:-.25in;}
     3220@list l30:level6
     3221        {mso-level-number-format:roman-lower;
     3222        mso-level-tab-stop:none;
     3223        mso-level-number-position:right;
     3224        margin-left:2.75in;
     3225        text-indent:-9.0pt;}
     3226@list l30:level7
     3227        {mso-level-tab-stop:none;
     3228        mso-level-number-position:left;
     3229        margin-left:3.25in;
     3230        text-indent:-.25in;}
     3231@list l30:level8
    16383232        {mso-level-number-format:alpha-lower;
    1639         mso-level-tab-stop:171.8pt;
    1640         mso-level-number-position:left;
    1641         margin-left:171.8pt;
    1642         text-indent:-.25in;}
    1643 @list l6:level5
    1644         {mso-level-tab-stop:207.8pt;
    1645         mso-level-number-position:left;
    1646         margin-left:207.8pt;
    1647         text-indent:-.25in;}
    1648 @list l6:level6
    1649         {mso-level-tab-stop:243.8pt;
    1650         mso-level-number-position:left;
    1651         margin-left:243.8pt;
    1652         text-indent:-.25in;}
    1653 @list l6:level7
    1654         {mso-level-tab-stop:279.8pt;
    1655         mso-level-number-position:left;
    1656         margin-left:279.8pt;
    1657         text-indent:-.25in;}
    1658 @list l6:level8
    1659         {mso-level-tab-stop:315.8pt;
    1660         mso-level-number-position:left;
    1661         margin-left:315.8pt;
    1662         text-indent:-.25in;}
    1663 @list l6:level9
    1664         {mso-level-tab-stop:351.8pt;
    1665         mso-level-number-position:left;
    1666         margin-left:351.8pt;
    1667         text-indent:-.25in;}
    1668 @list l7
    1669         {mso-list-id:1074664733;
     3233        mso-level-tab-stop:none;
     3234        mso-level-number-position:left;
     3235        margin-left:3.75in;
     3236        text-indent:-.25in;}
     3237@list l30:level9
     3238        {mso-level-number-format:roman-lower;
     3239        mso-level-tab-stop:none;
     3240        mso-level-number-position:right;
     3241        margin-left:4.25in;
     3242        text-indent:-9.0pt;}
     3243@list l31
     3244        {mso-list-id:1909534899;
    16703245        mso-list-type:hybrid;
    1671         mso-list-template-ids:-861403150 1141245230 67698713 67698703 67698703 67698713 67698715 67698703 67698713 67698715;}
    1672 @list l7:level1
    1673         {mso-level-number-format:alpha-lower;
    1674         mso-level-tab-stop:none;
    1675         mso-level-number-position:left;
    1676         margin-left:1.0in;
    1677         text-indent:-.25in;
    1678         mso-ansi-font-weight:normal;}
    1679 @list l7:level2
    1680         {mso-level-number-format:alpha-lower;
    1681         mso-level-tab-stop:none;
    1682         mso-level-number-position:left;
    1683         text-indent:-.25in;}
    1684 @list l7:level3
    1685         {mso-level-tab-stop:1.5in;
    1686         mso-level-number-position:left;
    1687         text-indent:-.25in;}
    1688 @list l7:level4
    1689         {mso-level-tab-stop:2.0in;
    1690         mso-level-number-position:left;
    1691         text-indent:-.25in;}
    1692 @list l7:level5
    1693         {mso-level-tab-stop:2.5in;
    1694         mso-level-number-position:left;
    1695         text-indent:-.25in;}
    1696 @list l7:level6
    1697         {mso-level-tab-stop:3.0in;
    1698         mso-level-number-position:left;
    1699         text-indent:-.25in;}
    1700 @list l7:level7
    1701         {mso-level-tab-stop:3.5in;
    1702         mso-level-number-position:left;
    1703         text-indent:-.25in;}
    1704 @list l7:level8
    1705         {mso-level-tab-stop:4.0in;
    1706         mso-level-number-position:left;
    1707         text-indent:-.25in;}
    1708 @list l7:level9
    1709         {mso-level-tab-stop:4.5in;
    1710         mso-level-number-position:left;
    1711         text-indent:-.25in;}
    1712 @list l8
    1713         {mso-list-id:1323200535;
     3246        mso-list-template-ids:529931970 67698703 67698691 67698693 67698689 67698691 95158906 67698689 67698691 67698693;}
     3247@list l31:level1
     3248        {mso-level-tab-stop:none;
     3249        mso-level-number-position:left;
     3250        margin-left:.25in;
     3251        text-indent:-.25in;}
     3252@list l31:level2
     3253        {mso-level-number-format:bullet;
     3254        mso-level-text:o;
     3255        mso-level-tab-stop:none;
     3256        mso-level-number-position:left;
     3257        margin-left:.75in;
     3258        text-indent:-.25in;
     3259        font-family:"Courier New";}
     3260@list l31:level3
     3261        {mso-level-number-format:bullet;
     3262        mso-level-text:;
     3263        mso-level-tab-stop:none;
     3264        mso-level-number-position:left;
     3265        margin-left:1.25in;
     3266        text-indent:-.25in;
     3267        font-family:Wingdings;}
     3268@list l31:level4
     3269        {mso-level-number-format:bullet;
     3270        mso-level-text:;
     3271        mso-level-tab-stop:none;
     3272        mso-level-number-position:left;
     3273        margin-left:1.75in;
     3274        text-indent:-.25in;
     3275        font-family:Symbol;}
     3276@list l31:level5
     3277        {mso-level-number-format:bullet;
     3278        mso-level-text:o;
     3279        mso-level-tab-stop:none;
     3280        mso-level-number-position:left;
     3281        margin-left:2.25in;
     3282        text-indent:-.25in;
     3283        font-family:"Courier New";}
     3284@list l31:level6
     3285        {mso-level-text:"%6\)";
     3286        mso-level-tab-stop:none;
     3287        mso-level-number-position:left;
     3288        margin-left:2.75in;
     3289        text-indent:-.25in;}
     3290@list l31:level7
     3291        {mso-level-number-format:bullet;
     3292        mso-level-text:;
     3293        mso-level-tab-stop:none;
     3294        mso-level-number-position:left;
     3295        margin-left:3.25in;
     3296        text-indent:-.25in;
     3297        font-family:Symbol;}
     3298@list l31:level8
     3299        {mso-level-number-format:bullet;
     3300        mso-level-text:o;
     3301        mso-level-tab-stop:none;
     3302        mso-level-number-position:left;
     3303        margin-left:3.75in;
     3304        text-indent:-.25in;
     3305        font-family:"Courier New";}
     3306@list l31:level9
     3307        {mso-level-number-format:bullet;
     3308        mso-level-text:;
     3309        mso-level-tab-stop:none;
     3310        mso-level-number-position:left;
     3311        margin-left:4.25in;
     3312        text-indent:-.25in;
     3313        font-family:Wingdings;}
     3314@list l32
     3315        {mso-list-id:2047678418;
    17143316        mso-list-type:hybrid;
    1715         mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1716 @list l8:level1
    1717         {mso-level-number-format:alpha-lower;
    1718         mso-level-tab-stop:none;
    1719         mso-level-number-position:left;
    1720         margin-left:1.0in;
    1721         text-indent:-.25in;}
    1722 @list l8:level2
    1723         {mso-level-tab-stop:1.0in;
    1724         mso-level-number-position:left;
    1725         text-indent:-.25in;}
    1726 @list l8:level3
    1727         {mso-level-tab-stop:1.5in;
    1728         mso-level-number-position:left;
    1729         text-indent:-.25in;}
    1730 @list l8:level4
    1731         {mso-level-tab-stop:2.0in;
    1732         mso-level-number-position:left;
    1733         text-indent:-.25in;}
    1734 @list l8:level5
    1735         {mso-level-tab-stop:2.5in;
    1736         mso-level-number-position:left;
    1737         text-indent:-.25in;}
    1738 @list l8:level6
    1739         {mso-level-tab-stop:3.0in;
    1740         mso-level-number-position:left;
    1741         text-indent:-.25in;}
    1742 @list l8:level7
    1743         {mso-level-tab-stop:3.5in;
    1744         mso-level-number-position:left;
    1745         text-indent:-.25in;}
    1746 @list l8:level8
    1747         {mso-level-tab-stop:4.0in;
    1748         mso-level-number-position:left;
    1749         text-indent:-.25in;}
    1750 @list l8:level9
    1751         {mso-level-tab-stop:4.5in;
    1752         mso-level-number-position:left;
    1753         text-indent:-.25in;}
    1754 @list l9
    1755         {mso-list-id:2114591880;
    1756         mso-list-template-ids:-445226636;}
    1757 @list l9:level1
    1758         {mso-level-tab-stop:none;
    1759         mso-level-number-position:left;
    1760         text-indent:-.25in;}
    1761 @list l9:level2
    1762         {mso-level-number-format:alpha-lower;
    1763         mso-level-tab-stop:1.0in;
    1764         mso-level-number-position:left;
    1765         text-indent:-.25in;}
    1766 @list l9:level3
    1767         {mso-level-tab-stop:1.5in;
    1768         mso-level-number-position:left;
    1769         text-indent:-.25in;}
    1770 @list l9:level4
    1771         {mso-level-number-format:alpha-lower;
    1772         mso-level-tab-stop:2.0in;
    1773         mso-level-number-position:left;
    1774         text-indent:-.25in;}
    1775 @list l9:level5
    1776         {mso-level-tab-stop:2.5in;
    1777         mso-level-number-position:left;
    1778         text-indent:-.25in;}
    1779 @list l9:level6
    1780         {mso-level-tab-stop:3.0in;
    1781         mso-level-number-position:left;
    1782         text-indent:-.25in;}
    1783 @list l9:level7
    1784         {mso-level-tab-stop:3.5in;
    1785         mso-level-number-position:left;
    1786         text-indent:-.25in;}
    1787 @list l9:level8
    1788         {mso-level-tab-stop:4.0in;
    1789         mso-level-number-position:left;
    1790         text-indent:-.25in;}
    1791 @list l9:level9
    1792         {mso-level-tab-stop:4.5in;
    1793         mso-level-number-position:left;
    1794         text-indent:-.25in;}
     3317        mso-list-template-ids:745169012 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3318@list l32:level1
     3319        {mso-level-number-format:bullet;
     3320        mso-level-text:;
     3321        mso-level-tab-stop:none;
     3322        mso-level-number-position:left;
     3323        text-indent:-.25in;
     3324        font-family:Symbol;}
     3325@list l32:level2
     3326        {mso-level-number-format:bullet;
     3327        mso-level-text:o;
     3328        mso-level-tab-stop:none;
     3329        mso-level-number-position:left;
     3330        text-indent:-.25in;
     3331        font-family:"Courier New";}
     3332@list l32:level3
     3333        {mso-level-number-format:bullet;
     3334        mso-level-text:;
     3335        mso-level-tab-stop:none;
     3336        mso-level-number-position:left;
     3337        text-indent:-.25in;
     3338        font-family:Wingdings;}
     3339@list l32:level4
     3340        {mso-level-number-format:bullet;
     3341        mso-level-text:;
     3342        mso-level-tab-stop:none;
     3343        mso-level-number-position:left;
     3344        text-indent:-.25in;
     3345        font-family:Symbol;}
     3346@list l32:level5
     3347        {mso-level-number-format:bullet;
     3348        mso-level-text:o;
     3349        mso-level-tab-stop:none;
     3350        mso-level-number-position:left;
     3351        text-indent:-.25in;
     3352        font-family:"Courier New";}
     3353@list l32:level6
     3354        {mso-level-number-format:bullet;
     3355        mso-level-text:;
     3356        mso-level-tab-stop:none;
     3357        mso-level-number-position:left;
     3358        text-indent:-.25in;
     3359        font-family:Wingdings;}
     3360@list l32:level7
     3361        {mso-level-number-format:bullet;
     3362        mso-level-text:;
     3363        mso-level-tab-stop:none;
     3364        mso-level-number-position:left;
     3365        text-indent:-.25in;
     3366        font-family:Symbol;}
     3367@list l32:level8
     3368        {mso-level-number-format:bullet;
     3369        mso-level-text:o;
     3370        mso-level-tab-stop:none;
     3371        mso-level-number-position:left;
     3372        text-indent:-.25in;
     3373        font-family:"Courier New";}
     3374@list l32:level9
     3375        {mso-level-number-format:bullet;
     3376        mso-level-text:;
     3377        mso-level-tab-stop:none;
     3378        mso-level-number-position:left;
     3379        text-indent:-.25in;
     3380        font-family:Wingdings;}
     3381@list l33
     3382        {mso-list-id:2079817427;
     3383        mso-list-type:hybrid;
     3384        mso-list-template-ids:2019058768 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3385@list l33:level1
     3386        {mso-level-number-format:bullet;
     3387        mso-level-text:;
     3388        mso-level-tab-stop:none;
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     3508@list l34:level9
     3509        {mso-level-number-format:bullet;
     3510        mso-level-text:;
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    17953515ol
    17963516        {margin-bottom:0in;}
    … …  
    18693589
    18703590<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
    1871 is where to find help on the Phase Tree items in GSAS-II. Note that the window displayed
    1872 for this page has multiple tabs. The help information is broken down by tab
    1873 section. <o:p></o:p></span></p>
     3591is where to find help on the Phase Tree items in GSAS-II. Note that the window
     3592displayed for this page has multiple tabs. The help information is broken down
     3593by tab section. <o:p></o:p></span></p>
    18743594
    18753595<h2 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
    … …  
    18953615phase. It also has the controls for Pawley intensity extraction and for
    18963616computing Fourier maps for this phase. It can also has the controls for Monte
    1897 Carlo/Simulated Annealing for solving structures with flexible rigid molecular
    1898 bodies.. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
    1899 none;text-underline:none'><o:p></o:p></span></span></span></p>
     3617Carlo/Simulated Annealing for solving structures with flexible rigid molecular <span
     3618class=GramE>bodies..</span> <span class=MsoHyperlink><span style='color:windowtext;
     3619text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    19003620
    19013621<h5 style='margin-left:.5in'>What can I do here?</h5>
    19023622
    1903 <p class=MsoListParagraph style='margin-left:1.0in;mso-add-space:auto;
    1904 text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     3623<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
     3624text-indent:-.25in;mso-list:l30 level1 lfo3'><![if !supportLists]><span
    19053625style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    19063626style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    … …  
    19093629for this phase. </span></p>
    19103630
    1911 <p class=MsoNormal style='margin-left:121.5pt;mso-add-space:auto;text-indent:
    1912 -.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1913 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    1914 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1915 style='mso-fareast-font-family:"Times New Roman"'>Fourier map - </span></b><span
    1916 style='mso-fareast-font-family:"Times New Roman"'>compute Fourier maps
    1917 according to the controls set at bottom of General page.<o:p></o:p></span></p>
    1918 
    1919 <p class=MsoListParagraphCxSpFirst style='margin-left:121.5pt;mso-add-space:
    1920 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1921 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    1922 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1923 style='mso-fareast-font-family:"Times New Roman"'>Search map - </span></b><span
    1924 style='mso-fareast-font-family:"Times New Roman"'>search the computed Fourier
    1925 map. Peaks that are above ‘Peak cutoff’ % of the maximum will be found in this
    1926 procedure; they will be printed on the console and will be shown in the ‘<a
    1927 href="#Phase-Map_peaks">Map peaks</a>’ page. This page will immediately be
    1928 shown, and the peaks will be shown on the structure drawing for this phase as
    1929 white 3-D crosses.<b><o:p></o:p></b></span></p>
    1930 
    1931 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1932 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1933 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    1934 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1935 style='mso-fareast-font-family:"Times New Roman"'>Charge flipping - </span></b><span
    1936 style='mso-fareast-font-family:"Times New Roman"'>This performs a charge
    1937 flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure solution
    1938 using the method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141, 2004). You
    1939 will need to select a source for the reflection set and perhaps select an
    1940 element for normalization by its form factor, a resolution limit (usually 0.5</span><span
    1941 style='font-family:"Calibri",sans-serif;mso-fareast-font-family:"Times New Roman"'>Å</span><span
    1942 style='mso-fareast-font-family:"Times New Roman"'>) and a charge flip threshold
    1943 (usually 0.1); these are found near the bottom of the <b style='mso-bidi-font-weight:
    1944 normal'>General</b> window. There are also Test HKLs to show the progress in
    1945 phasing with charge flipping cycles. They show the generally chaotic phase
    1946 behavior before a solution is found; after that the phases are essentially
    1947 fixed. No use is made of this information; it is just for your edification. A
    1948 progress bar showing the charge flip residual is shown while the charge flip is
    1949 in operation. When the residual is no longer decreasing (be patient – it
    1950 doesn’t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
    1951 normal'>Cancel</b> button to stop the charge flipping, otherwise it will stop
    1952 at 10000 cycles. The resulting map will be positioned to properly place
    1953 symmetry operators (NB: depends on the quality of the resulting phases; the map
    1954 could be still offset by a few steps), searched for peaks and the display
    1955 shifts to <b style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<b><o:p></o:p></b></span></p>
    1956 
    1957 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1958 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1959 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    1960 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1961 style='mso-fareast-font-family:"Times New Roman"'>4D Charge flipping – </span></b><span
    1962 style='mso-fareast-font-family:"Times New Roman"'>4-Dimensional<b> </b>charge
    1963 flipping is done for a modulated structure.<o:p></o:p></span></p>
    1964 
    1965 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1966 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 99.0pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1967 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    1968 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1969 style='mso-fareast-font-family:"Times New Roman"'>Clear map -</span></b><span
    1970 style='mso-fareast-font-family:"Times New Roman"'> This clears any
    1971 Fourier/charge flip map from memory; the Fourier map controls are also cleared.<o:p></o:p></span></p>
    1972 
    1973 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1974 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1975 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    1976 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3631<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3632style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3633Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3634</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
     3635map - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>compute
     3636Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
     3637
     3638<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3639style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3640Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3641style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3642</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Search
     3643map - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>search
     3644the computed Fourier map. Peaks that are above ‘Peak cutoff’ % of the maximum
     3645will be found in this procedure; they will be printed on the console and will
     3646be shown in the ‘<a href="#Phase-Map_peaks">Map peaks</a>’ page. This page will
     3647immediately be shown, and the peaks will be shown on the structure drawing for
     3648this phase as white 3-D crosses.<b><o:p></o:p></b></span></p>
     3649
     3650<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3651style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3652Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3653style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3654</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Charge
     3655flipping - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>This
     3656performs a charge flipping <i style='mso-bidi-font-style:normal'>ab initio</i>
     3657structure solution using the method of <span class=SpellE>Oszlanyi</span> &amp;
     3658<span class=SpellE>Suto</span> (Acta <span class=SpellE>Cryst</span>. A60, 134-141,
     36592004). You will need to select a source for the reflection set and perhaps
     3660select an element for normalization by its form factor, a resolution limit
     3661(usually 0.5</span><span style='font-family:"Calibri",sans-serif;mso-fareast-font-family:
     3662"Times New Roman"'>Å</span><span style='mso-fareast-font-family:"Times New Roman"'>)
     3663and a charge flip threshold (usually 0.1); these are found near the bottom of
     3664the <b style='mso-bidi-font-weight:normal'>General</b> window. There are also
     3665Test HKLs to show the progress in phasing with charge flipping cycles. They
     3666show the generally chaotic phase behavior before a solution is found; after
     3667that the phases are essentially fixed. No use is made of this information; it
     3668is just for your edification. A progress bar showing the charge flip residual
     3669is shown while the charge flip is in operation. When the residual is no longer
     3670decreasing (be patient – it doesn’t necessarily fall continuously), press the <b
     3671style='mso-bidi-font-weight:normal'>Cancel</b> button to stop the charge
     3672flipping, otherwise it will stop at 10000 cycles. The resulting map will be
     3673positioned to properly place symmetry operators (NB: depends on the quality of
     3674the resulting phases; the map could be still offset by a few steps), searched
     3675for peaks and the display shifts to <b style='mso-bidi-font-weight:normal'>Map
     3676peaks</b> to show them.<b><o:p></o:p></b></span></p>
     3677
     3678<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3679style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3680Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3681</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>4D
     3682Charge flipping – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>4-Dimensional<b>
     3683</b>charge flipping is done for a modulated structure.<o:p></o:p></span></p>
     3684
     3685<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3686style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3687Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3688</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Clear
     3689map -</span></b><span style='mso-fareast-font-family:"Times New Roman"'> This
     3690clears any Fourier/charge flip map from memory; the Fourier map controls are
     3691also cleared.<o:p></o:p></span></p>
     3692
     3693<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3694style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3695Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    19773696</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>MC/SA</span></b><span
    19783697style='mso-fareast-font-family:"Times New Roman"'> – Perform Monte
    … …  
    19803699MC/SA tab and the controls at the bottom of this tab.<o:p></o:p></span></p>
    19813700
    1982 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1983 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1984 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    1985 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1986 style='mso-fareast-font-family:"Times New Roman"'>Multi MC/SA</span></b><span
    1987 style='mso-fareast-font-family:"Times New Roman"'> – Perform multiple Monte
    1988 Carlo/Simulated Annealing structure solutions, accumulating the best ones as set
    1989 up in the MC/SA tab.<o:p></o:p></span></p>
    1990 
    1991 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    1992 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    1993 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    1994 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    1995 style='mso-fareast-font-family:"Times New Roman"'>Transform </span></b><span
    1996 style='mso-fareast-font-family:"Times New Roman"'>- This allows for a change in
    1997 axes, symmetry or unit cell. It is also used to create a magnetic phase from a
    1998 chemical (nuclear) phase. One important transformation that can be done here is
    1999 for Origin 1 settings to Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>).<b><o:p></o:p></b></span></p>
    2000 
    2001 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2002 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2003 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    2004 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3701<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3702style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3703Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3704</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Multi
     3705MC/SA</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
     3706Perform multiple Monte Carlo/Simulated Annealing structure solutions,
     3707accumulating the best ones as set up in the MC/SA tab.<o:p></o:p></span></p>
     3708
     3709<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3710style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3711Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3712style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3713</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Transform
     3714</span></b><span style='mso-fareast-font-family:"Times New Roman"'>- This
     3715allows for a change in axes, <span class=GramE>symmetry</span> or unit cell. It
     3716is also used to create a magnetic phase from a chemical (nuclear) phase. One
     3717important transformation that can be done here is for Origin 1 settings to
     3718Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>).<b><o:p></o:p></b></span></p>
     3719
     3720<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3721style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3722Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3723style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20053724</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Compare
    20063725– </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Compares
    2007 idealized polyhedra (tetrahedron &amp; octahedron) to those obtained from a
    2008 Reverse Monte Carlo run in RMCProfile.<b><o:p></o:p></b></span></p>
    2009 
    2010 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2011 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2012 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    2013 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3726idealized <span class=SpellE>polyhedra</span> (tetrahedron &amp; octahedron) to
     3727those obtained from a Reverse Monte Carlo run in RMCProfile.<b><o:p></o:p></b></span></p>
     3728
     3729<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3730style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3731Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3732style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20143733</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Select
    20153734magnetic/subgroup phase – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>allows
    … …  
    20203739cells list</a> for further information.<b><o:p></o:p></b></span></p>
    20213740
    2022 <p class=MsoListParagraphCxSpLast style='margin-left:121.5pt;mso-add-space:
    2023 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2024 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
    2025 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
    2026 style='mso-fareast-font-family:"Times New Roman"'>Protein quality</span></b><span
    2027 style='mso-fareast-font-family:"Times New Roman"'> – evaluate protein quality
    2028 by python versions of errat &amp; errat2 codes by Colovos, C. &amp; Yeates,
    2029 T.O. Protein Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
    2030 
    2031 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2032 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    2033 text-underline:none'><o:p>&nbsp;</o:p></span></span></p>
    2034 
    2035 <p class=MsoListParagraphCxSpFirst style='margin-left:73.2pt;mso-add-space:
    2036 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2037 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2038 color:windowtext;text-decoration:none;text-underline:none'><span
    2039 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2040 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    2041 "Times New Roman"'>The items in the upper part of the General page that can be
    2042 changed are Phase name, Phase type, Space group, unit cell parameters &amp;
    2043 refine flag. These are described in turn:<span class=MsoHyperlink><span
    2044 style='color:windowtext'><o:p></o:p></span></span></span></p>
    2045 
    2046 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2047 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2048 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2049 color:windowtext;text-decoration:none;text-underline:none'><span
    2050 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3741<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo4'><![if !supportLists]><span
     3742style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3743Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
     3744style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3745</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Protein
     3746quality</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
     3747evaluate protein quality by python versions of <span class=SpellE>errat</span>
     3748&amp; errat2 codes by <span class=SpellE>Colovos</span>, C. &amp; <span
     3749class=SpellE>Yeates</span>, T.O. Protein Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
     3750
     3751<p class=MsoNormal><span class=MsoHyperlink><span style='color:windowtext;
     3752text-decoration:none;text-underline:none'><o:p>&nbsp;</o:p></span></span></p>
     3753
     3754<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
     3755items in the upper part of the General page that can be changed are Phase name,
     3756Phase type, Space group, unit cell parameters &amp; refine flag. These are
     3757described in turn:<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     3758
     3759<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo5'><![if !supportLists]><span
     3760class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3761Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3762text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20513763</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    20523764style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
    … …  
    20553767style='color:windowtext'><o:p></o:p></span></span></span></p>
    20563768
    2057 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2058 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2059 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2060 color:windowtext;text-decoration:none;text-underline:none'><span
    2061 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3769<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo5'><![if !supportLists]><span
     3770class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3771Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3772text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20623773</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    20633774style='mso-fareast-font-family:"Times New Roman"'>Phase type – </span></b><span
    … …  
    20663777is initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    20673778
    2068 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2069 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2070 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2071 color:windowtext;text-decoration:none;text-underline:none'><span
    2072 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3779<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo5'><![if !supportLists]><span
     3780class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3781Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3782text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    20733783</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    20743784style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
    … …  
    20763786the phase is initialized; it can be changed later. Be careful about the impact
    20773787on Atom site symmetry and multiplicity if you do. GSAS-II will recognize any
    2078 legal space group symbol using the short Hermann-Mauguin forms; put a space
    2079 between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’; ‘F d 3 m’ is understood as
    2080 well as ‘F d -3 m’). For space groups with a choice of origin (e.g. F d 3 m),
    2081 GSAS-II always uses the 2<sup>nd</sup> setting where the center of inversion is
    2082 located at the origin. The choice of space group will set the available unit
    2083 cell parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    2084 
    2085 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2086 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2087 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    2088 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2089 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
    2090 unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
    2091 set this flag to refine the unit cell parameters in a Rietveld or Pawley
    2092 refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
     3788legal space group symbol using the short Hermann-<span class=SpellE>Mauguin</span>
     3789forms; put a space between the axial fields (<span class=GramE>e.g.</span> ‘F d
     37903 m’ not ‘Fd3m’; ‘F d 3 m’ is understood as well as ‘F d -3 m’). For space
     3791groups with a choice of origin (<span class=GramE>e.g.</span> F d 3 m), GSAS-II
     3792always uses the 2<sup>nd</sup> setting where the center of inversion is located
     3793at the origin. The choice of space group will set the available unit cell
     3794parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     3795
     3796<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo5'><![if !supportLists]><span
     3797style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3798Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3799</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3800style='mso-fareast-font-family:"Times New Roman"'>Refine unit cell</span></b><span
     3801style='mso-fareast-font-family:"Times New Roman"'> – set this flag to refine
     3802the unit cell parameters in a Rietveld or Pawley refinement. The actual
     3803parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
    20933804in the expression</span><i style='mso-bidi-font-style:normal'><span
    20943805style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman"'><br>
    … …  
    21863897 <v:imagedata src="gsasII-phase_files/image001.png" o:title="" chromakey="white"/>
    21873898</v:shape><![endif]--><![if !vml]><img width=335 height=19
    2188 src="gsasII-phase_files/image002.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
     3899src="gsasII-phase_files/image049.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
    21893900<span style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman";
    21903901mso-bidi-font-style:italic'>A0-A5 correspond to the reciprocal metric tensor
    … …  
    21923903&amp; 2*G<sub>23</sub>.</span></p>
    21933904
    2194 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2195 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2196 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2197 color:windowtext;text-decoration:none;text-underline:none'><span
    2198 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3905<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo5'><![if !supportLists]><span
     3906class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3907Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3908text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    21993909</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    22003910style='mso-fareast-font-family:"Times New Roman"'>a, b, c, alpha, beta, gamma</span></b><span
    … …  
    22033913values entered.</span><span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></p>
    22043914
    2205 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
    2206 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2207 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2208 color:windowtext;text-decoration:none;text-underline:none'><span
    2209 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2210 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    2211 "Times New Roman"'>If there are entries in the Atoms tab, then the Elements
    2212 table is shown next on the General page; you may select the isotope (only
    2213 relevant for neutron diffraction experiments). The density (just above the
    2214 Elements) is computed depending on this choice, the unit cell volume and the atom
    2215 fractions/site multiplicities in the entries on the Atoms page.<span
    2216 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    2217 
    2218 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
    2219 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2220 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2221 color:windowtext;text-decoration:none;text-underline:none'><span
    2222 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2223 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    2224 "Times New Roman"'>Next are the Pawley controls.<span class=MsoHyperlink><span
     3915<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>If
     3916there are entries in the Atoms tab, then the Elements table is shown next on
     3917the General page; you may select the isotope (only relevant for neutron
     3918diffraction experiments). The density (just above the Elements) is computed
     3919depending on this choice, the unit cell volume and the atom fractions/site
     3920multiplicities in the entries on the Atoms page.<span class=MsoHyperlink><span
    22253921style='color:windowtext'><o:p></o:p></span></span></span></p>
    22263922
    2227 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2228 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2229 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2230 color:windowtext;text-decoration:none;text-underline:none'><span
    2231 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3923<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Next
     3924are the Pawley controls.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     3925
     3926<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l14 level1 lfo6'><![if !supportLists]><span
     3927class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3928Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3929text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    22323930</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    22333931style='mso-fareast-font-family:"Times New Roman"'>Do Pawley refinement?</span></b><span
    … …  
    22403938reflection intensities.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    22413939
    2242 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2243 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2244 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    2245 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2246 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley
    2247 dmin</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – This
    2248 is the minimum d-spacing to be used in a Pawley refinement. <b
    2249 style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this to match the
    2250 minimum d-spacing indicated by the powder pattern limits (see <b
    2251 style='mso-bidi-font-weight:normal'>Limits</b> for the powder data set).</span></p>
    2252 
    2253 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2254 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2255 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2256 color:windowtext;text-decoration:none;text-underline:none'><span
    2257 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3940<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo6'><![if !supportLists]><span
     3941style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3942Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3943</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3944style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmin</span></span></b><span
     3945style='mso-fareast-font-family:"Times New Roman"'> – This is the minimum
     3946d-spacing to be used in a Pawley refinement. <b style='mso-bidi-font-weight:
     3947normal'>NB:</b> be sure to set this to match the minimum d-spacing indicated by
     3948the powder pattern limits (see <b style='mso-bidi-font-weight:normal'>Limits</b>
     3949for the powder data set).</span></p>
     3950
     3951<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo6'><![if !supportLists]><span
     3952class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3953Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3954text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    22583955</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    2259 style='mso-fareast-font-family:"Times New Roman"'>Pawley dmax</span></b><span
     3956style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmax</span></span></b><span
    22603957style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
    22613958This is the maximum d-spacing for reflections in a Pawley refinement. It is
    … …  
    22643961class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></p>
    22653962
    2266 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2267 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2268 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2269 color:windowtext;text-decoration:none;text-underline:none'><span
    2270 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3963<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l14 level1 lfo6'><![if !supportLists]><span
     3964class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3965Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3966text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    22713967</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    22723968style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
    22733969style='mso-fareast-font-family:"Times New Roman"'> – This is the weight for a
    22743970penalty function applied during a Pawley refinement on resulting negative
    2275 intensities. Use with caution; initially try very small values (e.g. .01). A
    2276 value of zero means no penalty is applied.<span class=MsoHyperlink><span
    2277 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    2278 
    2279 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
    2280 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2281 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2282 color:windowtext;text-decoration:none;text-underline:none'><span
    2283 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2284 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    2285 "Times New Roman"'>Fourier map controls are shown next on the General page. Single
    2286 crystal data or a completed Rietveld or Pawley refinement is required before a
    2287 Fourier map can be computed. Select the desired type of map, the source of the
    2288 reflection set and the map resolution desired. The peak cutoff is defined as a
    2289 percentage of the maximum and defines the lowest level considered in the peak
    2290 search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    2291 
    2292 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
    2293 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2294 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2295 color:windowtext;text-decoration:none;text-underline:none'><span
    2296 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2297 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    2298 "Times New Roman"'>Charge flip controls are below the Fourier map controls.<span
     3971intensities. Use with caution; initially try very small values (<span
     3972class=GramE>e.g.</span> .01). A value of zero means no penalty is applied.<span
    22993973class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    23003974text-underline:none'><o:p></o:p></span></span></span></p>
    23013975
    2302 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2303 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2304 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2305 color:windowtext;text-decoration:none;text-underline:none'><span
    2306 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3976<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
     3977map controls are shown next on the General page. Single crystal data or a
     3978completed Rietveld or Pawley refinement is required before a Fourier map can be
     3979computed. Select the desired type of map, the source of the reflection set and
     3980the map resolution desired. The peak cutoff is defined as a percentage of the maximum
     3981and defines the lowest level considered in the peak search.<span
     3982class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     3983
     3984<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Charge
     3985flip controls are below the Fourier map controls.<span class=MsoHyperlink><span
     3986style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3987
     3988<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     3989class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     3990Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     3991text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    23073992</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    23083993style='mso-fareast-font-family:"Times New Roman"'>Reflection sets </span></b><span
    2309 style='mso-fareast-font-family:"Times New Roman"'>– This is the source of
    2310 structure factors to be used in a charge flip calculation. These may be either
    2311 a single crystal data set, or structure factors extracted from a powder pattern
    2312 via a Pawley or LeBail refinement or a Rietveld refinement.<span
    2313 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    2314 text-underline:none'><o:p></o:p></span></span></span></p>
    2315 
    2316 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2317 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2318 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2319 color:windowtext;text-decoration:none;text-underline:none'><span
    2320 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3994style='mso-fareast-font-family:"Times New Roman"'>– This is the source of structure
     3995factors to be used in a charge flip calculation. These may be either a single
     3996crystal data set, or structure factors extracted from a powder pattern via a
     3997Pawley or LeBail refinement or a Rietveld refinement.<span class=MsoHyperlink><span
     3998style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3999
     4000<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     4001class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4002Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4003text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    23214004</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    23224005style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
    2323 style='mso-fareast-font-family:"Times New Roman"'>– This is an element form factor
    2324 chosen to normalize the structure factors before charge flipping. <b
     4006style='mso-fareast-font-family:"Times New Roman"'>– This is an element form
     4007factor chosen to normalize the structure factors before charge flipping. <b
    23254008style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
    23264009the lower right of the Periodic Table display shown when this is selected.<span
    … …  
    23284011text-underline:none'><o:p></o:p></span></span></span></p>
    23294012
    2330 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2331 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2332 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2333 color:windowtext;text-decoration:none;text-underline:none'><span
    2334 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4013<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     4014class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4015Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4016text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    23354017</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    23364018style='mso-fareast-font-family:"Times New Roman"'>Map grid step </span></b><span
    … …  
    23434025none;text-underline:none'><o:p></o:p></span></span></span></p>
    23444026
    2345 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2346 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2347 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    2348 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2349 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>k-Factor</span></b><span
     4027<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     4028style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4029Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4030</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4031style='mso-fareast-font-family:"Times New Roman"'>k-Factor</span></b><span
    23504032style='mso-fareast-font-family:"Times New Roman"'> – This is the threshold on
    23514033the density map, all densities below this are charge flipped.</span></p>
    23524034
    2353 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2354 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2355 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    2356 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2357 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>k-Max</span></b><span
     4035<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     4036style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4037Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4038</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4039style='mso-fareast-font-family:"Times New Roman"'>k-Max</span></b><span
    23584040style='mso-fareast-font-family:"Times New Roman"'> – This is an upper threshold
    23594041on the density map; all densities above this are charge flipped. In this way
    … …  
    23614043problems and larger for heavy atom ones (typically 2X largest atom number).<o:p></o:p></span></p>
    23624044
    2363 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2364 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2365 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    2366 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4045<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
     4046style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4047Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    23674048</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    23684049style='mso-fareast-font-family:"Times New Roman"'>Test HKLs</span></b><span
    23694050style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
    2370 plot of phases for selected hkls are shown at end of charge flipping run. Just
    2371 for you to look at.</span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2372 
    2373 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
    2374 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2375 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    2376 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2377 style='mso-fareast-font-family:"Times New Roman"'>Monte Carlo/Simulated
    2378 Annealing controls are at the bottom of the window. <o:p></o:p></span></p>
    2379 
    2380 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2381 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2382 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    2383 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2384 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
    2385 set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
    2386 This is the source of structure factors to be used in a charge flip
    2387 calculation. These may be either a single crystal data set, or structure
    2388 factors extracted from a powder pattern via a Pawley or Lebail refinement or a
    2389 Rietveld refinement.<o:p></o:p></span></p>
    2390 
    2391 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2392 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2393 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    2394 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2395 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>d-min
    2396 </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- This
    2397 restricts the set of reflections to be used in the MC/SA run. Suggest using no
    2398 lower than 2.0.</span></p>
    2399 
    2400 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2401 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2402 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    2403 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2404 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>MC/SA
    2405 runs</span></b><span style='mso-fareast-font-family:"Times New Roman";
    2406 mso-bidi-font-weight:bold'> – pulldown with selection of number of trials to be
    2407 done.</span></p>
    2408 
    2409 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2410 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2411 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2412 color:windowtext;text-decoration:none;text-underline:none'><span
    2413 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4051plot of phases for selected <span class=SpellE>hkls</span> are shown at end of
     4052charge flipping run. Just for you to look at.</span><span style='mso-fareast-font-family:
     4053"Times New Roman"'><o:p></o:p></span></p>
     4054
     4055<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Monte
     4056Carlo/Simulated Annealing controls are at the bottom of the window. <o:p></o:p></span></p>
     4057
     4058<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4059style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4060Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4061</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4062style='mso-fareast-font-family:"Times New Roman"'>Reflection set from</span></b><span
     4063style='mso-fareast-font-family:"Times New Roman"'> – This is the source of
     4064structure factors to be used in a charge flip calculation. These may be either
     4065a single crystal data set, or structure factors extracted from a powder pattern
     4066via a Pawley or <span class=SpellE>Lebail</span> refinement or a Rietveld
     4067refinement.<o:p></o:p></span></p>
     4068
     4069<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4070style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4071Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4072</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4073style='mso-fareast-font-family:"Times New Roman"'>d-min </span></b><span
     4074style='mso-fareast-font-family:"Times New Roman"'>- This restricts the set of
     4075reflections to be used in the MC/SA run. Suggest using no lower than 2.0.</span></p>
     4076
     4077<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4078style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4079Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4080</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4081style='mso-fareast-font-family:"Times New Roman"'>MC/SA runs</span></b><span
     4082style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
     4083pulldown with selection of number of trials to be done.</span></p>
     4084
     4085<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4086class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4087Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4088text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    24144089</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    24154090style='mso-fareast-font-family:"Times New Roman"'>MC/SA Refine</span></b><span
    … …  
    24194094text-underline:none'><o:p></o:p></span></span></p>
    24204095
    2421 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
    2422 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2423 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    2424 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2425 class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
    2426 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    2427 none;text-underline:none'>MC/SA schedule</span></b></span><span
     4096<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4097style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4098Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4099</span></span></span><![endif]><span class=MsoHyperlink><b style='mso-bidi-font-weight:
     4100normal'><span style='mso-fareast-font-family:"Times New Roman";color:windowtext;
     4101text-decoration:none;text-underline:none'>MC/SA schedule</span></b></span><span
    24284102class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    24294103color:windowtext;text-decoration:none;text-underline:none'> – This selects the
    … …  
    24324106temperatures for the set of steps.</span></span></p>
    24334107
    2434 <p class=MsoListParagraphCxSpLast style='margin-left:121.5pt;mso-add-space:
    2435 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2436 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2437 color:windowtext;text-decoration:none;text-underline:none'><span
    2438 style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4108<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
     4109class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4110Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4111text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    24394112</span></span></span></span><![endif]><span class=MsoHyperlink><b
    24404113style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman";
    … …  
    24454118each step.<o:p></o:p></span></span></p>
    24464119
    2447 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
     4120<h5 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
    24484121name=Origin1></a><a name="_Origin_1_-&gt;"></a>Origin 1 -&gt; Origin 2
    24494122Transformations</h5>
    24504123
    2451 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4124<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    24524125style='mso-fareast-font-family:"Times New Roman"'>An important transformation
    24534126may be needed in certain cases for space groups that have two alternate origin
    … …  
    24574130point in the structure does not contain a center of symmetry. Origin 1 places
    24584131the origin at the highest symmetry setting while Origin 2 places the origin at
    2459 a center of symmetry (creating a -x,-y,-z symmetry operator, which means that
    2460 reflection phases can only be 0 or π.) GSAS-II requires use of the Origin 2
    2461 settings because computations are much faster and simpler without complex structure
    2462 factors. Alas, the literature contains a number of structures reported in
    2463 Origin 1, where the origin choice may not be clearly communicated. (The CIF
    2464 standard does not require that origin choice be indicated.) When a structure is
    2465 imported that uses any of the space groups where an origin choice is possible,
    2466 a message is shown in GSAS-II notifying the user that they must confirm that
    2467 the origin choice is correct and then provides the opportunity to change
    2468 origins. <o:p></o:p></span></p>
    2469 
    2470 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
     4132a center of symmetry (creating a -<span class=GramE>x,-</span>y,-z symmetry
     4133operator, which means that reflection phases can only be 0 or π.) GSAS-II
     4134requires use of the Origin 2 settings because computations are much faster and
     4135simpler without complex structure factors. Alas, the literature contains <span
     4136class=GramE>a number of</span> structures reported in Origin 1, where the
     4137origin choice may not be clearly communicated. (The CIF standard does not
     4138require that origin choice be indicated.) When a structure is imported that
     4139uses any of the space groups where an origin choice is possible, a message is
     4140shown in GSAS-II notifying the user that they must confirm that the origin
     4141choice is correct and then provides the opportunity to change origins. <o:p></o:p></span></p>
     4142
     4143<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    24714144style='mso-fareast-font-family:"Times New Roman"'>Example:</span></b><span
    24724145style='mso-fareast-font-family:"Times New Roman"'> An example of what can go
    24734146wrong is illustrated with the structure of anatase. The space group is <i>I</i>
    2474 4<sub>1</sub>/<i>a m d</i>. In Origin 1 the coordinates are: <o:p></o:p></span></p>
    2475 
    2476 <table class=MsoNormalTable border=0 cellpadding=0 style='mso-cellspacing:1.5pt;
    2477  margin-left:3.0in;mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
    2478  <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes'>
    2479   <td colspan=4 style='padding:.75pt .75pt .75pt .75pt'>
    2480   <p class=MsoNormal align=center style='text-align:center'><b><span
     41474<sub>1</sub>/<i>a m d</i>. The coordinates for the two origin choices are: <o:p></o:p></span></p>
     4148
     4149<table class=MsoNormalTable border=0 cellpadding=0 width=264 style='width:197.9pt;
     4150 mso-cellspacing:1.5pt;margin-left:33.75pt;mso-yfti-tbllook:1184;mso-padding-alt:
     4151 0in 5.4pt 0in 5.4pt'>
     4152 <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes;height:13.75pt'>
     4153  <td width=260 colspan=5 style='width:194.9pt;padding:.75pt .75pt .75pt .75pt;
     4154  height:13.75pt'>
     4155  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    24814156  style='mso-fareast-font-family:"Times New Roman"'>Origin 1<o:p></o:p></span></b></p>
    24824157  </td>
    24834158 </tr>
    2484  <tr style='mso-yfti-irow:1'>
    2485   <td style='padding:.75pt .75pt .75pt .75pt'>
    2486   <p class=MsoNormal align=center style='text-align:center'><b><span
     4159 <tr style='mso-yfti-irow:1;height:14.1pt'>
     4160  <td style='padding:.75pt .75pt .75pt .75pt;height:14.1pt'>
     4161  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    24874162  style='mso-fareast-font-family:"Times New Roman"'>atom<o:p></o:p></span></b></p>
    24884163  </td>
    2489   <td colspan=3 style='padding:.75pt .75pt .75pt .75pt'>
    2490   <p class=MsoNormal align=center style='text-align:center'><b><span
     4164  <td width=192 colspan=4 style='width:144.2pt;padding:.75pt .75pt .75pt .75pt;
     4165  height:14.1pt'>
     4166  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    24914167  style='mso-fareast-font-family:"Times New Roman"'>coordinates<o:p></o:p></span></b></p>
    24924168  </td>
    24934169 </tr>
    2494  <tr style='mso-yfti-irow:2'>
    2495   <td style='padding:.75pt .75pt .75pt .75pt'>
    2496   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
     4170 <tr style='mso-yfti-irow:2;height:14.1pt'>
     4171  <td style='padding:.75pt .75pt .75pt .75pt;height:14.1pt'>
     4172  <p class=MsoNormal style='margin-left:.25in'><span class=SpellE><span
     4173  style='mso-fareast-font-family:"Times New Roman"'>Ti</span></span><span
     4174  style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    24974175  </td>
    2498   <td style='padding:.75pt .75pt .75pt .75pt'>
    2499   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4176  <td style='padding:.75pt .75pt .75pt .75pt;height:14.1pt'>
     4177  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4178  "Times New Roman"'>0<o:p></o:p></span></p>
    25004179  </td>
    2501   <td style='padding:.75pt .75pt .75pt .75pt'>
    2502   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4180  <td style='padding:.75pt .75pt .75pt .75pt;height:14.1pt'>
     4181  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4182  "Times New Roman"'>0<o:p></o:p></span></p>
    25034183  </td>
    2504   <td style='padding:.75pt .75pt .75pt .75pt'>
    2505   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4184  <td width=107 colspan=2 style='width:80.25pt;padding:.75pt .75pt .75pt .75pt;
     4185  height:14.1pt'>
     4186  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4187  "Times New Roman"'>0<o:p></o:p></span></p>
    25064188  </td>
    25074189 </tr>
    2508  <tr style='mso-yfti-irow:3;mso-yfti-lastrow:yes'>
    2509   <td style='padding:.75pt .75pt .75pt .75pt'>
    2510   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>O<o:p></o:p></span></p>
     4190 <tr style='mso-yfti-irow:3;height:13.75pt'>
     4191  <td style='padding:.75pt .75pt .75pt .75pt;height:13.75pt'>
     4192  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4193  "Times New Roman"'>O<o:p></o:p></span></p>
    25114194  </td>
    2512   <td style='padding:.75pt .75pt .75pt .75pt'>
    2513   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4195  <td style='padding:.75pt .75pt .75pt .75pt;height:13.75pt'>
     4196  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4197  "Times New Roman"'>0<o:p></o:p></span></p>
    25144198  </td>
    2515   <td style='padding:.75pt .75pt .75pt .75pt'>
    2516   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4199  <td style='padding:.75pt .75pt .75pt .75pt;height:13.75pt'>
     4200  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4201  "Times New Roman"'>0<o:p></o:p></span></p>
    25174202  </td>
    2518   <td style='padding:.75pt .75pt .75pt .75pt'>
    2519   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0.208<o:p></o:p></span></p>
     4203  <td width=107 colspan=2 style='width:80.25pt;padding:.75pt .75pt .75pt .75pt;
     4204  height:13.75pt'>
     4205  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4206  "Times New Roman"'>0.208<o:p></o:p></span></p>
    25204207  </td>
    25214208 </tr>
    2522 </table>
    2523 
    2524 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2525 style='mso-fareast-font-family:"Times New Roman";color:white;mso-color-alt:
    2526 windowtext'>and in Origin 2 the coordinates are: </span><span style='mso-fareast-font-family:
    2527 "Times New Roman"'><o:p></o:p></span></p>
    2528 
    2529 <table class=MsoNormalTable border=0 cellpadding=0 style='mso-cellspacing:1.5pt;
    2530  margin-left:3.0in;mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
    2531  <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes'>
    2532   <td colspan=4 style='padding:.75pt .75pt .75pt .75pt'>
    2533   <p class=MsoNormal align=center style='text-align:center'><b><span
     4209 <tr style='mso-yfti-irow:4;height:14.35pt'>
     4210  <td width=260 colspan=5 style='width:194.9pt;padding:.75pt .75pt .75pt .75pt;
     4211  height:14.35pt'>
     4212  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    25344213  style='mso-fareast-font-family:"Times New Roman"'>Origin 2<o:p></o:p></span></b></p>
    25354214  </td>
    25364215 </tr>
    2537  <tr style='mso-yfti-irow:1'>
    2538   <td style='padding:.75pt .75pt .75pt .75pt'>
    2539   <p class=MsoNormal align=center style='text-align:center'><b><span
     4216 <tr style='mso-yfti-irow:5;height:14.0pt'>
     4217  <td style='padding:.75pt .75pt .75pt .75pt;height:14.0pt'>
     4218  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    25404219  style='mso-fareast-font-family:"Times New Roman"'>atom<o:p></o:p></span></b></p>
    25414220  </td>
    2542   <td colspan=3 style='padding:.75pt .75pt .75pt .75pt'>
    2543   <p class=MsoNormal align=center style='text-align:center'><b><span
     4221  <td width=192 colspan=4 style='width:144.2pt;padding:.75pt .75pt .75pt .75pt;
     4222  height:14.0pt'>
     4223  <p class=MsoNormal align=center style='margin-left:.25in;text-align:center'><b><span
    25444224  style='mso-fareast-font-family:"Times New Roman"'>coordinates<o:p></o:p></span></b></p>
    25454225  </td>
    25464226 </tr>
    2547  <tr style='mso-yfti-irow:2'>
    2548   <td style='padding:.75pt .75pt .75pt .75pt'>
    2549   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
     4227 <tr style='mso-yfti-irow:6;height:14.35pt'>
     4228  <td style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4229  <p class=MsoNormal style='margin-left:.25in'><span class=SpellE><span
     4230  style='mso-fareast-font-family:"Times New Roman"'>Ti</span></span><span
     4231  style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    25504232  </td>
    2551   <td style='padding:.75pt .75pt .75pt .75pt'>
    2552   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4233  <td style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4234  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4235  "Times New Roman"'>0<o:p></o:p></span></p>
    25534236  </td>
    2554   <td style='padding:.75pt .75pt .75pt .75pt'>
    2555   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1/4<o:p></o:p></span></p>
     4237  <td colspan=2 style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4238  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4239  "Times New Roman"'>1/4<o:p></o:p></span></p>
    25564240  </td>
    2557   <td style='padding:.75pt .75pt .75pt .75pt'>
    2558   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>-1/8<o:p></o:p></span></p>
     4241  <td width=105 style='width:78.75pt;padding:.75pt .75pt .75pt .75pt;
     4242  height:14.35pt'>
     4243  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4244  "Times New Roman"'>-1/8<o:p></o:p></span></p>
    25594245  </td>
    25604246 </tr>
    2561  <tr style='mso-yfti-irow:3;mso-yfti-lastrow:yes'>
    2562   <td style='padding:.75pt .75pt .75pt .75pt'>
    2563   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>O<o:p></o:p></span></p>
     4247 <tr style='mso-yfti-irow:7;mso-yfti-lastrow:yes;height:14.35pt'>
     4248  <td style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4249  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4250  "Times New Roman"'>O<o:p></o:p></span></p>
    25644251  </td>
    2565   <td style='padding:.75pt .75pt .75pt .75pt'>
    2566   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0<o:p></o:p></span></p>
     4252  <td style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4253  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4254  "Times New Roman"'>0<o:p></o:p></span></p>
    25674255  </td>
    2568   <td style='padding:.75pt .75pt .75pt .75pt'>
    2569   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1/4<o:p></o:p></span></p>
     4256  <td colspan=2 style='padding:.75pt .75pt .75pt .75pt;height:14.35pt'>
     4257  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4258  "Times New Roman"'>1/4<o:p></o:p></span></p>
    25704259  </td>
    2571   <td style='padding:.75pt .75pt .75pt .75pt'>
    2572   <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>0.083<o:p></o:p></span></p>
     4260  <td width=105 style='width:78.75pt;padding:.75pt .75pt .75pt .75pt;
     4261  height:14.35pt'>
     4262  <p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     4263  "Times New Roman"'>0.083<o:p></o:p></span></p>
    25734264  </td>
    25744265 </tr>
     4266 <![if !supportMisalignedColumns]>
     4267 <tr height=0>
     4268  <td width=64 style='border:none'></td>
     4269  <td width=36 style='border:none'></td>
     4270  <td width=46 style='border:none'></td>
     4271  <td width=2 style='border:none'></td>
     4272  <td width=116 style='border:none'></td>
     4273 </tr>
     4274 <![endif]>
    25754275</table>
    25764276
    2577 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2578 style='mso-fareast-font-family:"Times New Roman";color:white;mso-color-alt:
    2579 windowtext'>where the origin is shifted by (0,1/4,-1/8). </span><span
    2580 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2581 
    2582 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
     4277<p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4278style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
     4279
     4280<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4281style='mso-fareast-font-family:"Times New Roman"'>Note that the Origin 2 coordinates
     4282are shifted by (0,1/<span class=GramE>4,-</span>1/8) relative to those in Origin
     42831. <o:p></o:p></span></p>
     4284
     4285<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
    25834286 id="Picture_x0020_3" o:spid="_x0000_s1027" type="#_x0000_t75" style='position:absolute;
    25844287 left:0;text-align:left;margin-left:190.3pt;margin-top:0;width:241.5pt;
    … …  
    25944297</v:shape><![endif]--><![if !vml]><img width=322 height=190
    25954298src="gsasII_files/wrong.png" align=right v:shapes="Picture_x0020_3"><![endif]><span
    2596 style='mso-fareast-font-family:"Times New Roman"'>GSAS-II always uses the
    2597 symmetry operators for Origin 2; if the structure is input incorrectly with the
    2598 coordinates set for Origin 1, there are several fairly obvious signs of
    2599 problems: (1) the site symmetries and multiplicities are wrong, often giving an
    2600 incorrect chemical formula, (2) the interatomic distances are incorrect, and
    2601 (3) a plot of the structure is improbable. In this case incorrect
     4299style='mso-fareast-font-family:"Times New Roman"'>GSAS-II always uses the symmetry
     4300operators for Origin 2; if the structure is input incorrectly with the
     4301coordinates set for Origin 1, there are several obvious signs of problems: <o:p></o:p></span></p>
     4302
     4303<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo23;
     4304tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4305style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4306Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4307</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>the
     4308site symmetries and multiplicities are wrong, often giving an incorrect
     4309chemical formula, <o:p></o:p></span></p>
     4310
     4311<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo23;
     4312tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4313style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4314Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4315</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>the
     4316interatomic distances are incorrect<o:p></o:p></span></p>
     4317
     4318<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l13 level1 lfo23;
     4319tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4320style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4321Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4322</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>a
     4323plot of the structure is improbable. <o:p></o:p></span></p>
     4324
     4325<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4326style='mso-fareast-font-family:"Times New Roman"'>In this case incorrect
    26024327multiplicities gives rise to a density of 7.9 g/cc, double the correct value.
    2603 Impossible interatomic distances of 1.88Å for Ti-Ti, and 1.39Å for Ti-O are
    2604 seen. The unit cell contents with the wrong space group operators is shown to
    2605 the right. <o:p></o:p></span></p>
    2606 
    2607 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4328Impossible interatomic distances of 1.88Å for <span class=SpellE><span
     4329class=GramE>Ti-Ti</span></span>, and 1.39Å for <span class=SpellE>Ti</span>-O
     4330are seen. The unit cell contents with the wrong space group operators is shown
     4331to the right. <o:p></o:p></span></p>
     4332
     4333<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    26084334style='mso-fareast-font-family:"Times New Roman"'>With coordinates that match
    2609 the space group operations, the correct Ti-O distances are 1.92Å and 1.97Å and
    2610 the shortest Ti-Ti distance is 3.0Å. (Note that interatomic distances can be
    2611 computed in GSAS-II using the Phase Atoms tab and the Compute/&quot;Show
    2612 Distances &amp; Angles&quot; menu item.) <o:p></o:p></span></p>
    2613 
    2614 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
     4335the space group operations, the correct <span class=SpellE>Ti</span>-O
     4336distances are 1.92Å and 1.97Å and the shortest <span class=SpellE>Ti-Ti</span>
     4337distance is 3.0Å. (Note that interatomic distances can be computed in GSAS-II
     4338using the Phase Atoms tab and the Compute/&quot;Show Distances &amp;
     4339Angles&quot; menu item.) <o:p></o:p></span></p>
     4340
     4341<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
    26154342 id="Picture_x0020_4" o:spid="_x0000_s1026" type="#_x0000_t75" style='position:absolute;
    26164343 left:0;text-align:left;margin-left:221.8pt;margin-top:0;width:273pt;height:339.75pt;
    … …  
    26354362shift loaded. Press OK. The changes can be seen by selecting the Atoms tab. </span></p>
    26364363
    2637 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     4364<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    26384365style='mso-fareast-font-family:"Times New Roman"'><br clear=right
    26394366style='mso-special-character:line-break'>
    … …  
    26414368
    26424369<h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
    2643 name=Phase-Data></a><a name="_Data"></a><u>Data</u></h4>
    2644 
    2645 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
    2646 tab serves several purposes. It is used to link histograms to the selected
    2647 phase, and it allows the values and refinement flags to be set for the
    2648 parameters that are defined for each histogram-phase pair, labeled as HAP
    2649 parameters. [Note that some GSAS-II parameters are defined for each phase
    2650 (atomic positions, for example), other parameters are defined for each
    2651 histogram (scale factors and instrumental constants, for example) but the HAP
    2652 parameters have values for each histogram in each phase.] It can also be used
    2653 to show a graphical representation of an HAP parameter set.</p>
    2654 
    2655 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
    2656 HAP parameters include: the phase fraction; the sample contributions to peak
    2657 broadening: microstrain and crystallite size; a LeBail intensity extraction
    2658 flag; hydrostatic/elastic strain shifts to lattice parameters; corrections to
    2659 peak intensities due to experimental effects (preferred orientation, extinction
     4370name=Phase-Data></a><a name="_Data"></a><u>Data<o:p></o:p></u></h4>
     4371
     4372<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     4373
     4374<p class=MsoNormal>This tab serves several purposes. It is used to link
     4375histograms to the selected phase, and it allows the values and refinement flags
     4376to be set for the parameters that are defined for each histogram-phase pair,
     4377labeled as HAP parameters. [Note that some GSAS-II parameters are defined for
     4378each phase (atomic positions, for example), other parameters are defined for
     4379each histogram (scale factors and instrumental constants, for example) but the
     4380HAP parameters have values for each histogram in each phase.] It can also be
     4381used to show a graphical representation of an HAP parameter set.</p>
     4382
     4383<p class=MsoNormal>The HAP parameters include: the phase fraction; the sample
     4384contributions to peak broadening: <span class=SpellE>microstrain</span> and
     4385crystallite size; a LeBail intensity extraction flag; hydrostatic/elastic strain
     4386shifts to lattice parameters; corrections to peak intensities due to
     4387experimental effects (preferred orientation, <span class=GramE>extinction</span>
    26604388and disordered solvents).</p>
    26614389
    2662 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>For
    2663 single crystal data, the only parameters are scale, extinction and disordered
    2664 solvent. There is no Sample Parameters histogram scale factor.</p>
    2665 
    2666 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2667 style='mso-fareast-font-family:"Times New Roman"'>Use flag</span></b><span
    2668 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2669 
    2670 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2671 style='mso-fareast-font-family:"Times New Roman"'>When the Use flag is
    2672 selected, the currently selected phase is used to compute intensities as a
    2673 contribution to the selected histogram (single-crystal histograms can have only
    2674 one phase; powder histograms can have any number of associated phases). When
    2675 not set, the phase is not present in the selected histogram. <o:p></o:p></span></p>
    2676 
    2677 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2678 style='mso-fareast-font-family:"Times New Roman"'>Start LeBail extraction </span></b><span
    2679 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2680 
    2681 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2682 style='mso-fareast-font-family:"Times New Roman"'>When this is selected,
    2683 intensities are set to values that are best fit using the LeBail intensity
    2684 determination method rather than are computed from the atomic information for
    2685 the phase. Cycling this setting will reset LeBail extracted intensities to
    2686 their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
    2687 
    2688 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2689 style='mso-fareast-font-family:"Times New Roman"'>Phase fraction</span></b><span
    2690 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2691 
    2692 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2693 style='mso-fareast-font-family:"Times New Roman"'>Used in powder histograms: a
    2694 multiplier that determines the relative amount of the selected phase to a
    2695 histogram. It is proportional the number of unit cells of the phase in the
    2696 sample. Note that when the histogram scale factor is varied, these values are
    2697 on a relative scale. Conventional practice is to vary the scale factor and to
    2698 not vary the phase fraction for one phase in a histogram. Do not refine the
    2699 scale factor and all phase fractions unless a constraint is defined so the
    2700 phase fractions add to 1. <o:p></o:p></span></p>
    2701 
    2702 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2703 style='mso-fareast-font-family:"Times New Roman"'>Scale factor<o:p></o:p></span></b></p>
    2704 
    2705 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2706 style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data:
    2707 relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
    2708 
    2709 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2710 style='mso-fareast-font-family:"Times New Roman"'>Crystallite size peak
    2711 broadening</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2712 
    2713 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2714 style='mso-fareast-font-family:"Times New Roman"'>is computed from size
    2715 factor(s) in microns (μm = 10<sup>-6</sup> m), with the Scherrer constant
    2716 assumed as unity. Sizes can be computed in three ways: isotropic, uniaxial and
     4390<p class=MsoNormal>For single crystal data, the only parameters are scale, <span
     4391class=GramE>extinction</span> and disordered solvent. There is no Sample
     4392Parameters histogram scale factor.</p>
     4393
     4394<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4395style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4396Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4397</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Use
     4398flag - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>When
     4399the Use flag is selected, the currently selected phase is used to compute
     4400intensities as a contribution to the selected histogram (single-crystal
     4401histograms can have only one phase; powder histograms can have any number of
     4402associated phases). When not set, the phase is not present in the selected
     4403histogram. <o:p></o:p></span></p>
     4404
     4405<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4406style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4407Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4408</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Start
     4409LeBail extraction - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>When
     4410this is selected, intensities are set to values that are best fit using the
     4411LeBail intensity determination method rather than are computed from the atomic
     4412information for the phase. Cycling this setting will reset LeBail extracted
     4413intensities to their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
     4414
     4415<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4416style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4417Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4418</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Phase
     4419fraction - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Used
     4420in powder histograms: a multiplier that determines the relative amount of the
     4421selected phase to a histogram. It is proportional the number of unit cells of
     4422the phase in the sample. Note that when the histogram scale factor is varied,
     4423these values are on a relative scale. Conventional practice is to vary the
     4424scale factor and to not vary the phase fraction for one phase in a histogram.
     4425Do not refine the scale factor and all phase fractions unless a constraint is
     4426defined so the phase fractions add to 1. <o:p></o:p></span></p>
     4427
     4428<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4429style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4430Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4431</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Scale
     4432factor - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Used
     4433for single crystal <span class=GramE>data:</span> relates F<sup>2</sup><sub>obs</sub>
     4434to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
     4435
     4436<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4437style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4438Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4439</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Crystallite
     4440size peak broadening – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>This<b>
     4441</b>is computed from size factor(s) in microns (<span class=SpellE>μm</span> =
     444210<sup>-6</sup> m), with the Scherrer constant assumed as unity. Sizes can be
     4443computed in three ways: isotropic, <span class=GramE>uniaxial</span> and
    27174444ellipsoidal. In isotropic broadening, crystallites are assumed to average as
    27184445uniform in all directions and a single size value is supplied; with uniaxial
    … …  
    27234450broadening tensor that has arbitrary orientation -- this model may require
    27244451constraints and is seldom needed. Note that size broadening is usually
    2725 Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
    2726 0. and 1., both Gaussian and Lorentz size broadening is modeled and a value of
    2727 0.0 is pure Gaussian. Values less than 0. or greater than 1. make no physical sense.
    2728 Typical sensitivity is to no more than 4 μm; beyond that the particles are
    2729 effectively infinite for a diffraction experiment.<o:p></o:p></span></p>
    2730 
    2731 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2732 style='mso-fareast-font-family:"Times New Roman"'>Microstrain peak broadening </span></b><span
    2733 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2734 
    2735 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2736 style='mso-fareast-font-family:"Times New Roman"'>is computed as unitless
    2737 fraction of Δd/d (or equivalently ΔQ/Q) times 10<sup>6</sup>. Microstrain can
    2738 be represented in three ways: isotropic, uniaxial and generalized. In isotropic
    2739 broadening, microstrain broadening assumed to be the same in all
     4452Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
     44531.0; if this value is between 0. and 1., both Gaussian and Lorentz size
     4454broadening is modeled and a value of 0.0 is pure Gaussian. Values less than 0.
     4455or greater than 1. make no physical sense. Typical sensitivity is to no more
     4456than 4 <span class=SpellE>μm</span>; beyond that the particles are effectively
     4457infinite for a diffraction experiment.<o:p></o:p></span></p>
     4458
     4459<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4460style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4461Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4462</span></span></span><![endif]><span class=SpellE><b><span style='mso-fareast-font-family:
     4463"Times New Roman"'>Microstrain</span></b></span><b><span style='mso-fareast-font-family:
     4464"Times New Roman"'> peak <span class=GramE>broadening<span
     4465style='mso-spacerun:yes'>  </span>-</span> </span></b><span style='mso-fareast-font-family:
     4466"Times New Roman"'>This<b> </b>is computed as unitless fraction of <span
     4467class=SpellE>Δd</span>/d (or equivalently ΔQ/Q) times 10<sup>6</sup>. <span
     4468class=SpellE>Microstrain</span> can be represented in three ways: isotropic, <span
     4469class=GramE>uniaxial</span> and generalized. In isotropic broadening, <span
     4470class=SpellE>microstrain</span> broadening assumed to be the same in all
    27404471crystallographic directions and a single value is supplied; with uniaxial
    27414472broadening, a preferred direction (as a crystallographic axis, such as 0,0,1)
    27424473is supplied -- note that for most crystal systems only one axis makes sense --
    2743 and two microstrain parameters are defined, one for along the axis and one for
    2744 in the perpendicular plane; with generalized, the Nicole Popa/Peter Stephens
    2745 second-order expansion model is used and the number of terms will depend on the
    2746 crystal system. It is typically possible to refine all terms when significant
    2747 anisotropic strain broadening is present. Note that microstrain broadening is usually
    2748 Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
    2749 0. and 1., both Gaussian and Lorentz broadening is modeled and a value of 0.0
    2750 is pure Gaussian. Values less than 0. or greater than 1. make no physical
    2751 sense. Typical microstrain is ~1000.<o:p></o:p></span></p>
    2752 
    2753 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2754 style='mso-fareast-font-family:"Times New Roman"'>Hydrostatic/elastic strain</span></b><span
    2755 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2756 
    2757 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2758 style='mso-fareast-font-family:"Times New Roman"'>shifts the lattice constants
    2759 for the contribution of a phase into a histogram. The values are added to the <a
     4474and two <span class=SpellE>microstrain</span> parameters are defined, one for
     4475along the axis and one for in the perpendicular plane; with generalized, the
     4476Nicole Popa/Peter Stephens second-order expansion model is <span class=GramE>used</span>
     4477and the number of terms will depend on the crystal system. It is typically
     4478possible to refine all terms when significant anisotropic strain broadening is
     4479present. Note that <span class=SpellE>microstrain</span> broadening is usually
     4480Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
     44811.0; if this value is between 0. and 1., both Gaussian and Lorentz broadening
     4482is modeled and a value of 0.0 is pure Gaussian. Values less than 0. or greater
     4483than 1. make no physical sense. Typical <span class=SpellE>microstrain</span>
     4484is ~1000.<o:p></o:p></span></p>
     4485
     4486<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4487style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4488Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4489</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Hydrostatic/elastic
     4490strain – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>This<b>
     4491</b>shifts the lattice constants for the contribution of a phase into a
     4492histogram. The values are added to the <a
    27604493href="http://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#gsasiilattice-unit-cells">reciprocal
    27614494lattice parameter tensor terms</a>. They must be refined in sequential
    … …  
    27654498X-ray/CW-neutron refinement of PbSO4 tutorial</a>. <o:p></o:p></span></p>
    27664499
    2767 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2768 style='mso-fareast-font-family:"Times New Roman"'>Preferred orientation</span></b><a
    2769 name="Phase-Preferred_orientation"></a><a name="Preferred_orientation"></a><span
    2770 style='mso-fareast-font-family:"Times New Roman"'> <o:p></o:p></span></p>
    2771 
    2772 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2773 style='mso-fareast-font-family:"Times New Roman"'>is treated in one of two
    2774 ways. Intensity corrections can be added to the model here or a full texture
    2775 model is possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
    2776 tab (which usually requires multiple histograms at different sample
    2777 orientations or detector settings). The approaches available here are
    2778 March-Dollase, which requires a definition of a unique axis (in
    2779 crystallographic coordinates) and the relative amount of excess or depletion of
    2780 crystallites in that direction; or Spherical Harmonics, where the selection of
    2781 an order determines the shape of the probability surface (which is always
    2782 constrained to match the symmetry of the crystal system and the symmetry of the
    2783 sample; here sample symmetry is assumed to be cylindrical). <o:p></o:p></span></p>
    2784 
    2785 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2786 style='mso-fareast-font-family:"Times New Roman"'>Extinction </span></b><span
    2787 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2788 
    2789 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2790 style='mso-fareast-font-family:"Times New Roman"'>can occur when
    2791 crystals/crystallites have minimal mosaic character, which results in lowering
    2792 of diffraction intensities for the most intense reflections. This is not
    2793 commonly seen in CW powder diffraction but can be more apparent in neutron TOF
    2794 data. For single crystal data the extinction model is more complex allowing for
    2795 primary and two types of secondary extinction.<o:p></o:p></span></p>
    2796 
    2797 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2798 style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – Babinet
    2799 A &amp; B</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    2800 
    2801 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2802 style='mso-fareast-font-family:"Times New Roman"'>This correction, using the
    2803 Babinet model, is typically used to treat scattering from solvent that is not
    2804 well-ordered in protein structures. It probably makes no sense in most any
    2805 other application. <o:p></o:p></span></p>
    2806 
    2807 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
    2808 style='mso-fareast-font-family:"Times New Roman"'>Merohedral twins<o:p></o:p></span></b></p>
    2809 
    2810 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    2811 style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data;
    2812 gives twin law transformation matrix and fraction for each twin member. These
    2813 are for merohedral twins where the observed structure factors are a composite
    2814 of contributions from each twin. Twin fractions are automatically constrained
    2815 to sum to unity.<o:p></o:p></span></p>
     4500<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4501style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4502Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4503</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Preferred
     4504orientation</span></b><a name="Phase-Preferred_orientation"></a><a
     4505name="Preferred_orientation"></a><span style='mso-fareast-font-family:"Times New Roman"'>
     4506– This is treated in one of two ways. Intensity corrections can be added to the
     4507model here or a full texture model is possible with the &quot;<u><span
     4508style='color:blue'><a href="#Texture">Texture</a></span></u>&quot; tab (which
     4509usually requires multiple histograms at different sample orientations or
     4510detector settings). The approaches available here are March-<span class=SpellE>Dollase</span>,
     4511which requires a definition of a unique axis (in crystallographic coordinates)
     4512and the relative amount of excess or depletion of crystallites in that
     4513direction; or Spherical Harmonics, where the selection of an order determines
     4514the shape of the probability surface (which is always constrained to match the
     4515symmetry of the crystal system and the symmetry of the sample; here sample
     4516symmetry is assumed to be cylindrical). <o:p></o:p></span></p>
     4517
     4518<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4519style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4520Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4521</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Extinction
     4522– </span></b><span style='mso-fareast-font-family:"Times New Roman"'>This<b> </b>can
     4523occur when crystals/crystallites have minimal mosaic character, which results
     4524in lowering of diffraction intensities for the most intense reflections. This
     4525is not commonly seen in CW powder diffraction but can be more apparent in
     4526neutron TOF data. For single crystal data the extinction model is more complex
     4527allowing for primary and two types of secondary extinction.<o:p></o:p></span></p>
     4528
     4529<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4530style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4531Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4532</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Disordered
     4533<span class=GramE>solvent;</span> <span class=SpellE>Babinet</span> A &amp; B -
     4534</span></b><span style='mso-fareast-font-family:"Times New Roman"'>This
     4535correction, using the <span class=SpellE>Babinet</span> model, is typically
     4536used to treat scattering from solvent that is not well-ordered in protein
     4537structures. It probably makes no sense in most any other application. <o:p></o:p></span></p>
     4538
     4539<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4540style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4541Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4542</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Merohedral
     4543twins - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Used
     4544for single crystal data; gives twin law transformation matrix and fraction for
     4545each twin member. These are for merohedral twins where the observed structure
     4546factors are a composite of contributions from each twin. Twin fractions are
     4547automatically constrained to sum to unity.<o:p></o:p></span></p>
    28164548
    28174549<h5 style='margin-left:.5in'>What can I do here?</h5>
    28184550
    2819 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    2820 margin-left:1.25in;text-indent:-.25in;mso-list:l4 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
    2821 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    2822 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2823 style='mso-fareast-font-family:"Times New Roman"'>In this tab, menu items allow
    2824 copying values or refinement flags to histograms/phases and selection of which
    2825 histograms are used in the current phase. <o:p></o:p></span></p>
    2826 
    2827 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    2828 margin-left:1.25in;text-indent:-.25in;mso-list:l4 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
    2829 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    2830 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2831 style='mso-fareast-font-family:"Times New Roman"'>The plot selection items
    2832 allow for three dimensional representations of the microstrain or crystallite
    2833 size distributions (which are spheres for isotropic treatments); preferred
    2834 orientation can be plotted as a Psi scan (a plot of relative crystallite abundance
    2835 for a particular reflection as a function of azimuthal angle) or as an inverse
    2836 pole figure (which shows a stereographic projection of the probability
    2837 distribution for different reciprocal lattice directions as viewed down the
    2838 sample cylinder axis). For no texture/preferred orientation this figure would
    2839 be flat = 1.0.<o:p></o:p></span></p>
     4551<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4552style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4553Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4554</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>In
     4555this tab, menu items allow copying values or refinement flags to
     4556histograms/phases and selection of which histograms are used in the current
     4557phase. <o:p></o:p></span></p>
     4558
     4559<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l33 level1 lfo9'><![if !supportLists]><span
     4560style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4561Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4562</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>The
     4563plot selection items allow for three dimensional representations of the <span
     4564class=SpellE>microstrain</span> or crystallite size distributions (which are
     4565spheres for isotropic treatments); preferred orientation can be plotted as a
     4566Psi scan (a plot of relative crystallite abundance for a particular reflection
     4567as a function of azimuthal angle) or as an inverse pole figure (which shows a
     4568stereographic projection of the probability distribution for different
     4569reciprocal lattice directions as viewed down the sample cylinder axis). For no
     4570texture/preferred orientation this figure would be flat = 1.0.<o:p></o:p></span></p>
    28404571
    28414572<h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
    … …  
    28524583<h5 style='margin-left:.5in'>What can I do here?</h5>
    28534584
    2854 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    2855 text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4585<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
     4586text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    28564587style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    28574588style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Atom
    … …  
    28624593selection the atoms will turn green in the structure drawing:</p>
    28634594
    2864 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2865 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2866 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2867 color:windowtext;text-decoration:none;text-underline:none'><span
    2868 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4595<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo11;
     4596tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4597class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4598Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4599text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    28694600</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    28704601style='mso-fareast-font-family:"Times New Roman"'>Left Mouse Button (LMB)</span></b><span
    … …  
    28734604none;text-underline:none'><o:p></o:p></span></span></span></p>
    28744605
    2875 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2876 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2877 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2878 color:windowtext;text-decoration:none;text-underline:none'><span
    2879 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4606<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo11;
     4607tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4608class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4609Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4610text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    28804611</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    28814612style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
    … …  
    28854616none;text-underline:none'><o:p></o:p></span></span></span></p>
    28864617
    2887 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2888 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2889 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2890 color:windowtext;text-decoration:none;text-underline:none'><span
    2891 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4618<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo11;
     4619tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4620class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4621Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4622text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    28924623</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    28934624style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
    … …  
    28964627text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    28974628
    2898 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2899 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2900 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2901 color:windowtext;text-decoration:none;text-underline:none'><span
    2902 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4629<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo11;
     4630tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4631class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4632Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4633text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    29034634</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    29044635style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
    … …  
    29124643text-underline:none'><o:p></o:p></span></span></span></p>
    29134644
    2914 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2915 auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4645<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     4646auto;text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    29164647class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    29174648color:windowtext;text-decoration:none;text-underline:none'><span
    … …  
    29234654none;text-underline:none'><o:p></o:p></span></span></p>
    29244655
    2925 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2926 auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4656<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     4657auto;text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    29274658class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    29284659color:windowtext;text-decoration:none;text-underline:none'><span
    … …  
    29344665text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    29354666
    2936 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2937 auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4667<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     4668auto;text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    29384669class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    29394670color:windowtext;text-decoration:none;text-underline:none'><span
    … …  
    29444675the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
    29454676style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
    2946 normal'>Ctrl</b> allow selection of multiple cells but no use is made of them).
    2947 An individual data item can be cut/pasted anywhere including from/to another
    2948 document. Bad entries are rejected (yellow background). If any entry is
    2949 changed, press <b style='mso-bidi-font-weight:normal'>Enter</b> key or select
    2950 another atom entry to apply the change.<span class=MsoHyperlink><span
    2951 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    2952 
    2953 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2954 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2955 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2956 color:windowtext;text-decoration:none;text-underline:none'><span
    2957 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4677normal'>Ctrl</b> allow selection of multiple <span class=GramE>cells</span> but
     4678no use is made of them). An individual data item can be cut/pasted anywhere
     4679including from/to another document. Bad entries are rejected (yellow
     4680background). If any entry is changed, press <b style='mso-bidi-font-weight:
     4681normal'>Enter</b> key or select another atom entry to apply the change.<span
     4682class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4683text-underline:none'><o:p></o:p></span></span></span></p>
     4684
     4685<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4686tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4687class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4688Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4689text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    29584690</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    29594691style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
    … …  
    29624694none;text-underline:none'><o:p></o:p></span></span></span></p>
    29634695
    2964 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2965 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2966 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2967 color:windowtext;text-decoration:none;text-underline:none'><span
    2968 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4696<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4697tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4698class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4699Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4700text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    29694701</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    29704702style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
    … …  
    29744706text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    29754707
    2976 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2977 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2978 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2979 color:windowtext;text-decoration:none;text-underline:none'><span
    2980 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4708<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4709tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4710class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4711Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4712text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    29814713</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    29824714style='mso-fareast-font-family:"Times New Roman"'>refine</span></b><span
    … …  
    29864718text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    29874719
    2988 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2989 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    2990 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    2991 color:windowtext;text-decoration:none;text-underline:none'><span
    2992 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    2993 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    2994 style='mso-fareast-font-family:"Times New Roman"'>x,y,z</span></b><span
     4720<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4721tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4722class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4723Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4724text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4725</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
     4726style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>x,y</span></b></span><b
     4727style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
    29954728style='mso-fareast-font-family:"Times New Roman"'> – change atom coordinate.
    2996 Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
     4729Fractions (<span class=GramE>e.g.</span> 1/3, 1/4) are allowed.<span
     4730class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4731text-underline:none'><o:p></o:p></span></span></span></p>
     4732
     4733<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4734tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4735class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4736Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4737text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4738</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
     4739style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso</span></b></span><b
     4740style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
     4741style='mso-fareast-font-family:"Times New Roman"'> – change these values;
     4742fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
    29974743style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    29984744
    2999 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3000 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3001 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3002 color:windowtext;text-decoration:none;text-underline:none'><span
    3003 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3004 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3005 style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso,Uij</span></b><span
    3006 style='mso-fareast-font-family:"Times New Roman"'> – change these values; fractions
    3007 (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span style='color:windowtext;
    3008 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3009 
    3010 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3011 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3012 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3013 color:windowtext;text-decoration:none;text-underline:none'><span
    3014 style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4745<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo12;
     4746tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4747class=MsoHyperlink><span style='font-family:Symbol;mso-fareast-font-family:
     4748Symbol;mso-bidi-font-family:Symbol;color:windowtext;text-decoration:none;
     4749text-underline:none'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    30154750</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    30164751style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
    30174752style='mso-fareast-font-family:"Times New Roman"'> – select one of <b
    3018 style='mso-bidi-font-weight:normal'>I</b>(sotropic) or <b style='mso-bidi-font-weight:
    3019 normal'>A</b>(nisotropic); the <b style='mso-bidi-font-weight:normal'>Uiso/Uij</b>
    3020 entries will change appropriately. <span class=MsoHyperlink><span
    3021 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3022 
    3023 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3024 auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4753style='mso-bidi-font-weight:normal'>I</b>(<span class=SpellE>sotropic</span>)
     4754or <b style='mso-bidi-font-weight:normal'>A</b>(<span class=SpellE>nisotropic</span>);
     4755the <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span><b
     4756style='mso-bidi-font-weight:normal'>/<span class=SpellE>Uij</span></b> entries
     4757will change appropriately. <span class=MsoHyperlink><span style='color:windowtext;
     4758text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4759
     4760<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     4761auto;text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    30254762style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    30264763style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
    … …  
    30294766more atoms before using many of the menu items.</p>
    30304767
    3031 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3032 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3033 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    3034 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>On
    3035 selected atoms …</b> - </p>
    3036 
    3037 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3038 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3039 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    3040 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4768<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo13;
     4769tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4770style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4771Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4772</span></span></span><![endif]><b>On selected atoms …</b> - </p>
     4773
     4774<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4775auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4776style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4777style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    30414778style='mso-bidi-font-weight:normal'>Refine selected </b>– A popup dialog box
    30424779appears; select refinement flags to apply to all selected atoms.</p>
    30434780
    3044 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3045 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3046 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    3047 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4781<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4782auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4783style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4784style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    30484785style='mso-bidi-font-weight:normal'>Modify parameters</b> – A popup dialog box
    30494786appears with a list of atom parameter names; select one to apply to all
    30504787selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename
    3051 selected atoms according to position in table (e.g. Na(1) for Na atom as 1<sup>st</sup>
    3052 atom in list in row ‘0’). <b style='mso-bidi-font-weight:normal'>Type</b> will
    3053 give periodic table popup; selected element valence will be used for all
    3054 selected atoms and atoms names will be changed. <b style='mso-bidi-font-weight:
    3055 normal'>I/A</b> will give popup with choices to be used for all selected atoms.
    3056 <b style='mso-bidi-font-weight:normal'>x,y,z</b> will give popup for shift to
    3057 be applied to the parameter for all selected atoms. <b style='mso-bidi-font-weight:
    3058 normal'>Uiso</b> and <b style='mso-bidi-font-weight:normal'>frac</b> will give
    3059 popup for new value to be used for all selected atoms. </p>
    3060 
    3061 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3062 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3063 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    3064 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b>Set
     4788selected atoms according to position in table (e.g. <span class=GramE>Na(</span>1)
     4789for Na atom as 1<sup>st</sup> atom in list in row ‘0’). <b style='mso-bidi-font-weight:
     4790normal'>Type</b> will give periodic table popup; selected element valence will
     4791be used for all selected atoms and atoms names will be changed. <b
     4792style='mso-bidi-font-weight:normal'>I/A</b> will give popup with choices to be
     4793used for all selected atoms. <span class=SpellE><span class=GramE><b
     4794style='mso-bidi-font-weight:normal'>x,y</b></span><b style='mso-bidi-font-weight:
     4795normal'>,z</b></span> will give popup for shift to be applied to the parameter
     4796for all selected atoms. <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span>
     4797and <b style='mso-bidi-font-weight:normal'>frac</b> will give popup for new
     4798value to be used for all selected atoms. </p>
     4799
     4800<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4801auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4802style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4803style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Set
    30654804viewpoint</b> – Set the viewpoint to be position of 1st selected atom</p>
    30664805
    3067 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3068 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3069 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    3070 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4806<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4807auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4808style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4809style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    30714810style='mso-bidi-font-weight:normal'>Move atom to viewpoint </b>– Move a single
    30724811atom to viewpoint in plot.</p>
    30734812
    3074 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3075 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3076 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    3077 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
    3078 style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name=
    3079 Unk) at 0,0,0 before the selected atom, it is also drawn as an H atom in the
    3080 structure plot (small white ball).</p>
    3081 
    3082 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3083 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3084 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    3085 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4813<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4814auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4815style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4816style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
     4817style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name= <span
     4818class=SpellE>Unk</span>) at 0,0,0 before the selected atom, it is also drawn as
     4819an H atom in the structure plot (small white ball).</p>
     4820
     4821<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4822auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4823style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4824style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    30864825style='mso-bidi-font-weight:normal'>Insert viewpoint</b> – insert an H atom
    3087 (name= Unk) before the selected atom with coordinates matching the location of
    3088 the viewpoint, it is also drawn as an H atom in the structure plot.</p>
    3089 
    3090 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3091 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3092 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    3093 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4826(name= <span class=SpellE>Unk</span>) before the selected atom with coordinates
     4827matching the location of the viewpoint, it is also drawn as an H atom in the
     4828structure plot.</p>
     4829
     4830<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4831auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4832style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4833style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    30944834style='mso-bidi-font-weight:normal'>Calc H atoms </b>– insert H-atoms in
    30954835standard positions based on bonding patterns about selected atoms.</p>
    30964836
    3097 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3098 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3099 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
    3100 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4837<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4838auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4839style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4840style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    31014841style='mso-bidi-font-weight:normal'>Delete atom</b> – selected atoms will be
    31024842deleted from the atom list; they should also vanish from the structure drawing.</p>
    31034843
    3104 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3105 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3106 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
    3107 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4844<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4845auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4846style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4847style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    31084848style='mso-bidi-font-weight:normal'>Transform atoms</b> – A popup dialog box
    31094849appears; select space group operator/unit cell translation to apply to the
    … …  
    31134853all atoms are selected.</p>
    31144854
    3115 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3116 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3117 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
    3118 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4855<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4856auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4857style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4858style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    31194859style='mso-bidi-font-weight:normal'>Select all </b>– Selects all atoms for
    31204860further changes. Atoms in drawing will turn green.</p>
    31214861
    3122 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
    3123 auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3124 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
    3125 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     4862<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
     4863auto;text-indent:-.25in;mso-list:l31 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4864style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
     4865style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
    31264866style='mso-bidi-font-weight:normal'>Select from list </b>– A popup appears
    31274867allowing selection of atoms for further changes. Selected atoms will turn
    31284868green.</p>
    31294869
    3130 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3131 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3132 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    3133 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3134 style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= Unk)
    3135 at 0,0,0 to the end of the atom table, it is also drawn as an H atom in the
    3136 structure plot.</p>
    3137 
    3138 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3139 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3140 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    3141 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3142 style='mso-bidi-font-weight:normal'>Append viewpoint</b> – add an H atom (name=
    3143 Unk) to the end of the atom table with coordinates matching the location of the
    3144 viewpoint, it is drawn as an H atom in the structure plot.</p>
    3145 
    3146 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3147 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3148 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    3149 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3150 style='mso-bidi-font-weight:normal'>Update H atoms </b>– Reset H-atoms
    3151 according to bonding geometry; only applies to H-atoms initially placed via
    3152 Calc H-atoms. Usually used after running a structure refinement.</p>
    3153 
    3154 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3155 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3156 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    3157 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Assemble
    3158 molecule</b> – move atoms to create single molecule, not appropriate for
    3159 extended structures.</p>
    3160 
    3161 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3162 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3163 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    3164 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4870<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4871tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4872style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4873Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4874</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Append
     4875atom</b> – add an H atom (name= <span class=SpellE>Unk</span>) at 0,0,0 to the
     4876end of the atom table, it is also drawn as an H atom in the structure plot.</p>
     4877
     4878<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4879tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4880style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4881Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4882</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Append
     4883viewpoint</b> – add an H atom (name= <span class=SpellE>Unk</span>) to the end
     4884of the atom table with coordinates matching the location of the viewpoint, it
     4885is drawn as an H atom in the structure plot.</p>
     4886
     4887<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4888tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4889style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4890Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4891</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Update H
     4892atoms </b>– Reset H-atoms according to bonding geometry; only applies to
     4893H-atoms initially placed via Calc H-atoms. Usually used after running a
     4894structure refinement.</p>
     4895
     4896<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4897tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4898style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4899Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4900</span></span></span><![endif]><b>Assemble molecule</b> – move atoms to create
     4901single molecule, not appropriate for extended structures.</p>
     4902
     4903<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4904tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4905style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4906Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    31654907</span></span></span><![endif]><b>Collect atoms</b> – move atoms to be closest
    31664908to selected position</p>
    31674909
    3168 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3169 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3170 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    3171 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3172 style='mso-bidi-font-weight:normal'>Reload draw atoms</b> – reload drawing
    3173 atoms from current atom list. Generally needed after a refinement.</p>
    3174 
    3175 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3176 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3177 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    3178 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3179 style='mso-bidi-font-weight:normal'>Reimport atoms </b>– from any importable
    3180 phase file (e.g. cif, gpx)</p>
    3181 
    3182 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3183 auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4910<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4911tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4912style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4913Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4914</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Reload
     4915draw atoms</b> – reload drawing atoms from current atom list. Generally needed
     4916after a refinement.</p>
     4917
     4918<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     4919tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4920style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4921Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4922</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Reimport
     4923atoms </b>– from any importable phase file (<span class=GramE>e.g.</span> <span
     4924class=SpellE>cif</span>, <span class=SpellE>gpx</span>)</p>
     4925
     4926<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     4927auto;text-indent:-.25in;mso-list:l31 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    31844928style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    31854929style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu<b
    31864930style='mso-bidi-font-weight:normal'> ‘Compute’ – </b></p>
    31874931
    3188 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3189 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3190 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    3191 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3192 style='mso-bidi-font-weight:normal'>Show Distances &amp; Angles – </b>compute
    3193 distances and angles with esds (if possible) for selected atoms. A popup dialog
    3194 box will appear with distance angle controls. NB: if atoms have been added or
    3195 their type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
     4932<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4933tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4934style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4935Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4936</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Show
     4937Distances &amp; Angles – </b>compute distances and angles with <span
     4938class=SpellE>esds</span> (if possible) for selected atoms. A popup dialog box
     4939will appear with distance angle controls. NB: if atoms have been added or their
     4940type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
    31964941of this dialog box before proceeding.</p>
    31974942
    3198 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3199 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3200 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    3201 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3202 style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as a.
    3203 but reports result to a file with extension “.disagl”.</p>
    3204 
    3205 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3206 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3207 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    3208 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Histogram
    3209 bonds and angles</b> – forms histograms of bond lengths &amp; angles about
    3210 selected atoms.</p>
    3211 
    3212 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3213 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3214 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    3215 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Apportion
    3216 atom frac</b> – after selection of a 2<sup>nd</sup> element; this determines
    3217 from atomic number and neutron scattering length the atom fractions of each
    3218 type for selected atoms and presents results on the console.</p>
    3219 
    3220 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3221 auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3222 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    3223 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Density
    3224 </b>– calculate density</p>
    3225 
    3226 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    3227 text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3228 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    3229 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4943<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4944tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4945style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4946Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4947</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Save
     4948Distances &amp; Angles –</b> same as a. but reports result to a file with
     4949extension <span class=GramE>“.<span class=SpellE>disagl</span></span>”.</p>
     4950
     4951<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4952tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4953style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4954Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4955</span></span></span><![endif]><b>Histogram bonds and angles</b> – forms
     4956histograms of bond lengths &amp; angles about selected atoms.</p>
     4957
     4958<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4959tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4960style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4961Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4962</span></span></span><![endif]><b>Apportion atom frac</b> – after selection of
     4963a 2<sup>nd</sup> element; this determines from atomic number and neutron
     4964scattering length the atom fractions of each type for selected atoms and
     4965presents results on the console.</p>
     4966
     4967<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4968tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4969style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4970Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4971</span></span></span><![endif]><b>Density </b>– calculate density</p>
     4972
     4973<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l28 level1 lfo14;
     4974tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     4975style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4976Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    32304977</span></span></span><![endif]><b>ISODISTORT mode values</b> – there must be
    32314978available the ISODISTORT mode displacement constraints available. This will
    … …  
    32354982<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
    32364983
    3237 <p style='margin-left:1.0in'>A drawing of the crystal structure will be
    3238 displayed only if the Draw Options or Draw Atoms tabs are visited first. When
    3239 back at the Atoms tab, the following are applicable and use of the mouse
    3240 buttons changes the view of the structure and can be used to select atoms.</p>
    3241 
    3242 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3243 "Times New Roman"'>Left drag</span></b><span style='mso-fareast-font-family:
    3244 "Times New Roman"'>: <o:p></o:p></span></p>
    3245 
    3246 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3247 "Times New Roman"'>Holding down left button rotates axes around screen x &amp;
    3248 y <o:p></o:p></span></p>
    3249 
    3250 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3251 "Times New Roman"'>Right drag</span></b><span style='mso-fareast-font-family:
    3252 "Times New Roman"'>: <o:p></o:p></span></p>
    3253 
    3254 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3255 "Times New Roman"'>Holding down right button translates the fractional
    3256 coordinates assigned to the viewpoint (which is kept at the center of the
    3257 drawing). The structure will appear to translate. The viewpoint can also be
    3258 entered directly in the Draw Options. <o:p></o:p></span></p>
    3259 
    3260 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3261 "Times New Roman"'>Middle drag</span></b><span style='mso-fareast-font-family:
    3262 "Times New Roman"'>: <o:p></o:p></span></p>
    3263 
    3264 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3265 "Times New Roman"'>Holding down center button rotates axes around screen z
    3266 (direction perpendicular to screen). <o:p></o:p></span></p>
    3267 
    3268 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3269 "Times New Roman"'>Mouse Wheel</span></b><span style='mso-fareast-font-family:
    3270 "Times New Roman"'>: <o:p></o:p></span></p>
    3271 
    3272 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3273 "Times New Roman"'>Rotating the scroll wheel changes “camera distance” (zoom
    3274 in/out) <o:p></o:p></span></p>
    3275 
    3276 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3277 "Times New Roman"'>Shift+Left Click</span></b><span style='mso-fareast-font-family:
    3278 "Times New Roman"'>: <o:p></o:p></span></p>
    3279 
    3280 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3281 "Times New Roman"'>Holding down the shift key while clicking on an atom with
    3282 the left mouse button causes that atom to be selected (Shift + a Right click
    3283 does the same). Any previously selected atoms will be reset. If two atoms are
    3284 overlapped in the current view, then the top-most atom will usually be
    3285 selected. Only atoms in the asymmetric unit can be selected from the plot in
    3286 this way. <o:p></o:p></span></p>
    3287 
    3288 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3289 "Times New Roman"'>Shift+Right click</span></b><span style='mso-fareast-font-family:
    3290 "Times New Roman"'>: <o:p></o:p></span></p>
    3291 
    3292 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3293 "Times New Roman"'>Holding down the shift key while clicking on an atom with
    3294 the right mouse button causes the atom to be selected if previously unselected
    3295 and unselected if previously selected. Any previously selected atoms will be
    3296 continue to be selected so shift-right click can be used to add atoms to the
    3297 selection list. If two atoms are overlapped in the current view, then the
    3298 top-most atom will usually be selected. Only atoms in the asymmetric unit can
    3299 be selected from the plot in this way. (On a Mac, control+mouse click is an
    3300 alternate way to do this.) <o:p></o:p></span></p>
    3301 
    3302 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3303 "Times New Roman"'>Key n</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
    3304 <o:p></o:p></span></p>
    3305 
    3306 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3307 "Times New Roman"'>Pressing the &quot;n&quot; key selects the next atom in the
    3308 displayed atom list. <o:p></o:p></span></p>
    3309 
    3310 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3311 "Times New Roman"'>Key p</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
    3312 <o:p></o:p></span></p>
    3313 
    3314 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3315 "Times New Roman"'>Pressing the &quot;p&quot; key selects the previous atom in
    3316 the displayed atom list. <o:p></o:p></span></p>
    3317 
    3318 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3319 "Times New Roman"'>Key c</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
    3320 <o:p></o:p></span></p>
    3321 
    3322 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3323 "Times New Roman"'>Pressing the &quot;c&quot; key sets the plot viewpoint at
    3324 unit cell center. Also resets n/p selection item to the 1<sup>st</sup> atom.<o:p></o:p></span></p>
    3325 
    3326 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3327 "Times New Roman"'>Key s:<o:p></o:p></span></b></p>
    3328 
    3329 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3330 "Times New Roman"'>Pressing the “s” key brings up a (large) selection of color
    3331 schemes for the slice contours. Default – “Paired” (Green – positive, red –
    3332 negative &amp; yellow – zero).<o:p></o:p></span></p>
    3333 
    3334 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3335 "Times New Roman"'>Key k:<o:p></o:p></span></b></p>
    3336 
    3337 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3338 "Times New Roman"'>Pressing the “k” key cycles through the possible slice
    3339 contouring options (none, lines, colors, lines+colors)<o:p></o:p></span></p>
    3340 
    3341 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3342 "Times New Roman"'>Key +:<o:p></o:p></span></b></p>
    3343 
    3344 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3345 "Times New Roman"'>Pressing the “+” (or “=”) key steps the viewpoint in
    3346 positive drawing z-direction (away from viewer). If structure is
    3347 incommensurate, “+” steps the structure and map through the 4<sup>th</sup>
    3348 dimension (+tau).<o:p></o:p></span></p>
    3349 
    3350 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
    3351 "Times New Roman"'>Key -:<o:p></o:p></span></b></p>
    3352 
    3353 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3354 "Times New Roman"'>Pressing the “-“ key steps the viewpoint in negative drawing
    3355 z-direction (toward from viewer). If structure is incommensurate, “-” steps the
    3356 structure and map through the 4<sup>th</sup> dimension (-tau).<o:p></o:p></span></p>
     4984<p>A drawing of the crystal structure will be displayed only if the Draw
     4985Options or Draw Atoms tabs are visited first. When back at the Atoms tab, the
     4986following are applicable and use of the mouse buttons changes the view of the
     4987structure and can be used to select atoms.</p>
     4988
     4989<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     4990style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4991Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4992</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Left
     4993drag</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     4994Holding down left button rotates axes around screen x &amp; y <o:p></o:p></span></p>
     4995
     4996<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     4997style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     4998Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     4999</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Right
     5000drag</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     5001Holding down right button translates the fractional coordinates assigned to the
     5002viewpoint (which is kept at the center of the drawing). The structure will
     5003appear to translate. The viewpoint can also be entered directly in the Draw
     5004Options. <o:p></o:p></span></p>
     5005
     5006<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5007style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5008Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5009</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Middle
     5010drag</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     5011Holding down center button rotates axes around screen z (direction
     5012perpendicular to screen). <o:p></o:p></span></p>
     5013
     5014<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5015style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5016Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5017</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Mouse
     5018Wheel</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     5019Rotating the scroll wheel changes “camera distance” (zoom in/out) <o:p></o:p></span></p>
     5020
     5021<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5022style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5023Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5024</span></span></span><![endif]><span class=SpellE><b><span style='mso-fareast-font-family:
     5025"Times New Roman"'>Shift+Left</span></b></span><b><span style='mso-fareast-font-family:
     5026"Times New Roman"'> Click</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     5027Holding down the shift key while clicking on an atom with the left mouse button
     5028causes that atom to be selected (Shift + a Right click does the same). Any
     5029previously selected atoms will be reset. If two atoms are overlapped in the
     5030current view, then the top-most atom will usually be selected. Only atoms in
     5031the asymmetric unit can be selected from the plot in this way. <o:p></o:p></span></p>
     5032
     5033<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5034style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5035Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5036</span></span></span><![endif]><span class=SpellE><b><span style='mso-fareast-font-family:
     5037"Times New Roman"'>Shift+Right</span></b></span><b><span style='mso-fareast-font-family:
     5038"Times New Roman"'> click</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     5039Holding down the shift key while clicking on an atom with the right mouse
     5040button causes the atom to be selected if previously unselected and unselected
     5041if previously selected. Any previously selected atoms will be <span
     5042class=GramE>continue</span> to be selected so shift-right click can be used to
     5043add atoms to the selection list. If two atoms are overlapped in the current
     5044view, then the top-most atom will usually be selected. Only atoms in the
     5045asymmetric unit can be selected from the plot in this way. (On a Mac, <span
     5046class=SpellE>control+mouse</span> click is an alternate way to do this.) <o:p></o:p></span></p>
     5047
     5048<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5049style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5050Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5051</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5052n</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Pressing
     5053the &quot;n&quot; key selects the next atom in the displayed atom list. <o:p></o:p></span></p>
     5054
     5055<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5056style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5057Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5058</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5059p</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Pressing
     5060the &quot;p&quot; key selects the previous atom in the displayed atom list. <o:p></o:p></span></p>
     5061
     5062<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5063style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5064Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5065</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5066c</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Pressing
     5067the &quot;c&quot; key sets the plot viewpoint at unit cell center. Also resets
     5068n/p selection item to the 1<sup>st</sup> atom.<o:p></o:p></span></p>
     5069
     5070<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5071style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5072Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5073</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5074s: </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Pressing
     5075the “s” key brings up a (large) selection of color schemes for the slice
     5076contours. Default – “Paired” (Green – positive, red – negative &amp; yellow –
     5077zero).<o:p></o:p></span></p>
     5078
     5079<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5080style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5081Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5082</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5083k: </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Pressing
     5084the “k” key cycles through the possible slice contouring options (none, lines,
     5085colors, <span class=SpellE>lines+colors</span>)<o:p></o:p></span></p>
     5086
     5087<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5088style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5089Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5090</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5091+: </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Pressing
     5092the “+” (or “=”) key steps the viewpoint in positive drawing z-direction (away
     5093from viewer). If structure is incommensurate, “+” steps the structure and map
     5094through the 4<sup>th</sup> dimension (+tau).<o:p></o:p></span></p>
     5095
     5096<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo15'><![if !supportLists]><span
     5097style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5098Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5099</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     5100-: </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Pressing
     5101the “<span class=GramE>-“ key</span> steps the viewpoint in negative drawing z-direction
     5102(toward from viewer). If structure is incommensurate, “-” steps the structure
     5103and map through the 4<sup>th</sup> dimension (-tau).<o:p></o:p></span></p>
    33575104
    33585105<h4 style='margin-left:.25in'><a name="Phase-Draw_Options"><u>Draw Options</u></a></h4>
    … …  
    33605107<h5 style='margin-left:.5in'>What can I do here?</h5>
    33615108
    3362 <p class=MsoNormal style='margin-left:.75in'>The Draw Options window provides
    3363 access to a number of items that control how the structure is displayed. If a
    3364 map is available (Fourier of charge flipping), one can display a 10<span
    3365 style='font-family:"Calibri",sans-serif'>Å</span>x10<span style='font-family:
    3366 "Calibri",sans-serif'>Å</span> contoured slice centered at the viewpoint.
    3367 Contouring done as lines, colors or lines &amp; colors combined. 3-D contouring
    3368 is also available as green (red for negative density) map grid points. One can
    3369 also draw individual or stack of hkl planes across unit cell.</p>
     5109<p class=MsoNormal>The Draw Options window provides access to <span
     5110class=GramE>a number of</span> items that control how the structure is
     5111displayed. If a map is available (Fourier of charge flipping), one can display
     5112a 10<span style='font-family:"Calibri",sans-serif'>Å</span>x10<span
     5113style='font-family:"Calibri",sans-serif'>Å</span> contoured slice centered at
     5114the viewpoint. Contouring done as lines, colors or lines &amp; colors combined.
     51153-D contouring is also available as green (red for negative density) map grid
     5116points. One can also draw individual or stack of <span class=SpellE>hkl</span>
     5117planes across unit cell.</p>
    33705118
    33715119<h5 style='margin-left:.5in'>What is drawn here?</h5>
    33725120
    3373 <p style='margin-left:.75in'>A drawing that shows the atoms of the crystal
    3374 structure is generated. The way that the structure is displayed is determined
    3375 according to the controls in this page as well as the options on the <a
    3376 href="#Phase-Draw_Atoms">Draw Atoms</a> page.</p>
     5121<p>A drawing that shows the atoms of the crystal structure is generated. The
     5122way that the structure is displayed is determined according to the controls in
     5123this page as well as the options on the <a href="#Phase-Draw_Atoms">Draw Atoms</a>
     5124page.</p>
    33775125
    33785126<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
    33795127
    3380 <p style='margin-left:.75in'>Use of the mouse buttons and key presses when
    3381 viewing a crystal structure changes the view of the structure; see Atoms or
    3382 Draw Atoms for details</p>
     5128<p>Use of the mouse buttons and key presses when viewing a crystal structure
     5129changes the view of the structure; see Atoms or Draw Atoms for details</p>
    33835130
    33845131<h4 style='margin-left:.25in'><a name="Phase-Draw_Atoms"></a><a
    … …  
    33875134<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
    33885135gives a list of the atoms and bonds that are to be rendered as lines, van der
    3389 Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or
    3390 polyhedra. There are four menus for this tab; Edit allows modification of the
    3391 list of atoms to be rendered, Compute gives some options for geometric characterization
    3392 of selected atoms, Restraints allows definition of 4 different types of
    3393 restraints on the structure and Rigid body allows selection of atoms that form
    3394 a previously defined rigid body.</p>
     5136Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or <span
     5137class=SpellE>polyhedra</span>. There are four menus for this tab; Edit allows
     5138modification of the list of atoms to be rendered, Compute gives some options
     5139for geometric characterization of selected atoms, Restraints allows definition
     5140of 4 different types of restraints on the structure and Rigid body allows
     5141selection of atoms that form a previously defined rigid body.</p>
    33955142
    33965143<h5 style='margin-left:.5in'>What can I do here?</h5>
    33975144
    3398 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    3399 text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5145<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
     5146text-indent:-.25in;mso-list:l10 level1 lfo1;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    34005147style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    34015148style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    … …  
    34095156click in the (empty) upper left box will select or deselect all atoms.</p>
    34105157
    3411 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3412 auto;text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5158<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     5159auto;text-indent:-.25in;mso-list:l10 level1 lfo1;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    34135160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    34145161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    34155162style='mso-bidi-font-weight:normal'>Atom Selection from drawing</b>: select an
    34165163atom by a left click of the mouse while holding down the Shift key and pointed
    3417 at the center of the displayed atom, it will turn green if successful and the corresponding
    3418 entry in the table will be highlighted (in grey); any previous selections will
    3419 be cleared. To add to your selection, use the right mouse button (Shift down);
    3420 if a previously selection is reselected it is removed from the selection list. <b
    3421 style='mso-bidi-font-weight:normal'>NB</b>: beware of atoms that are hiding
    3422 behind the one you are trying to select they may be selected inadvertently. You
    3423 can rotate the structure anytime during the selection process.</p>
    3424 
    3425 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3426 auto;text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5164at the center of the displayed atom, it will turn green if successful and the
     5165corresponding entry in the table will be highlighted (in grey); any previous
     5166selections will be cleared. To add to your selection, use the right mouse button
     5167(Shift down); if a previously selection is reselected it is removed from the
     5168selection list. <b style='mso-bidi-font-weight:normal'>NB</b>: beware of atoms
     5169that are hiding behind the one you are trying to select they may be selected
     5170inadvertently. You can rotate the structure anytime during the selection
     5171process.</p>
     5172
     5173<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     5174auto;text-indent:-.25in;mso-list:l10 level1 lfo1;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    34275175style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    34285176style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3429 style='mso-bidi-font-weight:normal'>Double left click a Name, Type and Sym Op
    3430 column heading</b>: a dialog box is shown that allows you to select all atoms
    3431 with that characteristic. For example, selecting the Type column will show all
    3432 the atom types; your choice will then cause all those atoms to be selected.</p>
    3433 
    3434 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3435 auto;text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5177style='mso-bidi-font-weight:normal'>Double left click a Name, Type and <span
     5178class=SpellE>Sym</span> Op column heading</b>: a dialog box is shown that
     5179allows you to select all atoms with that characteristic. For example, selecting
     5180the Type column will show all the atom types; your choice will then cause all
     5181those atoms to be selected.</p>
     5182
     5183<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     5184auto;text-indent:-.25in;mso-list:l10 level1 lfo1;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    34365185style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    34375186style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    … …  
    34455194rendered and thus the drawing will not show any atoms or bonds!</p>
    34465195
    3447 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3448 auto;text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5196<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     5197auto;text-indent:-.25in;mso-list:l10 level1 lfo1;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    34495198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    34505199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
    3451 ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The edit menu shows
     5200‘<b style='mso-bidi-font-weight:normal'>Edit Figure’ - </b>The edit menu shows
    34525201operations that can be performed on your selected atoms. You must select one or
    34535202more atoms before using any of the menu items. Most of these items can also be
    3454 accessed by selecting one or more atoms and right-clicking the mouse.</p>
    3455 
    3456 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3457 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3458 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    3459 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3460 style='mso-bidi-font-weight:normal'>Atom style</b> – select the rendering style
    3461 for the selected atoms</p>
    3462 
    3463 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3464 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3465 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    3466 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3467 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be
    3468 shown as a label for each atom in selection. The choices are: none, type, name
    3469 or number. (NB: atom labelling slows drawing response time).</p>
    3470 
    3471 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3472 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3473 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    3474 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3475 style='mso-bidi-font-weight:normal'>Atom color</b> – select the color for the
    3476 atom; a color choice dialog is displayed that covers the entire color spectrum.
    3477 Choose a color by any of the means available, press the “Add to Custom Colors”,
    3478 select that color in the Custom colors display and then press OK.</p>
    3479 
    3480 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3481 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3482 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    3483 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3484 style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the atom
    3485 color back to their defaults for the selected atoms.</p>
    3486 
    3487 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3488 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3489 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    3490 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3491 style='mso-bidi-font-weight:normal'>Edit atom radii </b>– modify atom radii
    3492 used in the bond assignment algorithm.</p>
    3493 
    3494 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3495 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3496 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    3497 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3498 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View
    3499 point</b> – position the plot view point to the first atom in the selection.</p>
    3500 
    3501 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3502 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3503 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    3504 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3505 style='mso-bidi-font-weight:normal'>Select from list </b>– select atoms from a
    3506 popup list of names.</p>
    3507 
    3508 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3509 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3510 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    3511 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3512 style='mso-bidi-font-weight:normal'>Add atoms</b> – using the selected atoms,
    3513 new ones are added to the bottom of the list after applying your choice of
    3514 symmetry operator and unit cell translation selected via a dialog display.
    3515 Duplicate atom positions are not retained. Any anisotropic thermal displacement
    3516 parameters (Uij) will be transformed as appropriate.</p>
    3517 
    3518 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3519 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3520 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    3521 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5203accessed by selecting one or more atoms and <span class=GramE>right-clicking</span>
     5204the mouse.</p>
     5205
     5206<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5207style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5208Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5209</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Atom
     5210style</b> – select the rendering style for the selected atoms</p>
     5211
     5212<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5213style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5214Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5215</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Atom
     5216label</b> – select the item to be shown as a label for each atom in selection.
     5217The choices <span class=GramE>are:</span> none, type, name or number. (NB: atom
     5218labelling slows drawing response time).</p>
     5219
     5220<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5221style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5222Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5223</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Atom
     5224color</b> – select the color for the atom; a color choice dialog is displayed
     5225that covers the entire color spectrum. Choose a color by any of the means
     5226available, press the “Add to Custom Colors”, select that color in the Custom
     5227colors display and then press OK.</p>
     5228
     5229<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5230style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5231Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5232</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Reset
     5233atom colors</b> – return the atom color back to their defaults for the selected
     5234atoms.</p>
     5235
     5236<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5237style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5238Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5239</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Edit atom
     5240radii </b>– modify atom radii used in the bond assignment algorithm.</p>
     5241
     5242<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5243style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5244Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5245</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
     5246normal'>View point</b></span> – position the plot view point to the first atom
     5247in the selection.</p>
     5248
     5249<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5250style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5251Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5252</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Select
     5253from list </b>– select atoms from a popup list of names.</p>
     5254
     5255<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5256style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5257Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5258</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add atoms</b>
     5259– using the selected atoms, new ones are added to the bottom of the list after
     5260applying your choice of symmetry operator and unit cell translation selected
     5261via a dialog display. Duplicate atom positions are not retained. Any
     5262anisotropic thermal displacement parameters (<span class=SpellE>Uij</span>)
     5263will be transformed as appropriate.</p>
     5264
     5265<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5266style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5267Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    35225268</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add
    35235269sphere of atoms </b>– fill in all equivalent atoms that fall within a sphere of
    35245270selected radius about selected atoms.</p>
    35255271
    3526 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3527 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3528 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    3529 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5272<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5273style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5274Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    35305275</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Transform
    35315276draw atoms</b> – apply a symmetry operator and unit cell translation to the set
    35325277of selected atoms; they will be changed in place. Any anisotropic thermal
    3533 displacement parameters (Uij) will be transformed as appropriate.</p>
    3534 
    3535 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3536 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3537 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
    3538 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3539 style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> – using the atoms
    3540 currently in the draw atom table, find all atoms that belong in the coordination
    3541 sphere around the selected atoms via unit cell translations. NB: symmetry
    3542 operations are not used in this search; do Fill unit cell first.</p>
    3543 
    3544 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3545 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3546 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>l.<span
    3547 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5278displacement parameters (<span class=SpellE>Uij</span>) will be transformed as
     5279appropriate.</p>
     5280
     5281<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5282style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5283Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5284</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill
     5285CN-sphere</b> – using the atoms currently in the draw atom table, find all
     5286atoms that belong in the coordination sphere around the selected atoms via unit
     5287cell translations. NB: symmetry operations are not used in this search; do Fill
     5288unit cell first.</p>
     5289
     5290<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5291style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5292Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    35485293</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
    35495294cell</b> - using the atoms currently selected from the draw atom table, find
    … …  
    35515296This operation is frequently performed before Fill CN-sphere.</p>
    35525297
    3553 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3554 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3555 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>m.<span
    3556 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3557 style='mso-bidi-font-weight:normal'>Complete molecule </b>– beginning with a
    3558 selected atom, transform other atoms to equivalent positions that form a
    3559 contiguous molecule. Not appropriate for continuous structures (a warning will
    3560 appear)</p>
    3561 
    3562 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3563 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3564 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>n.<span
    3565 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3566 style='mso-bidi-font-weight:normal'>Create void map </b>– by using a grid of
    3567 probe positions, locate points outside of normal contact distances within a
    3568 structure. Result is a mesh of small blue points in structural voids (e.g.
    3569 possible locations of missing water molecules).</p>
    3570 
    3571 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3572 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3573 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>o.<span
    3574 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3575 style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear the entire draw
    3576 atom table; it is then refilled from the Atoms table. You should do this
    3577 operation after any changes in the Atoms table, e.g. by a structure refinement.</p>
    3578 
    3579 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3580 auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3581 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>p.<span
    3582 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3583 style='mso-bidi-font-weight:normal'>Update draw atoms </b>– refresh the drawn
    3584 atom positions from the Atoms list.</p>
    3585 
    3586 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    3587 text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    3588 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>q.<span
    3589 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3590 style='mso-bidi-font-weight:normal'>Load selected atoms </b>- refresh the
    3591 selected drawn atom positions from the Atoms list.</p>
    3592 
    3593 <p class=MsoNormal style='margin-left:1.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
    3594 
    3595 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    3596 text-indent:-.25in;mso-list:l5 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5298<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5299style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5300Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5301</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Complete
     5302molecule </b>– beginning with a selected atom, transform other atoms to
     5303equivalent positions that form a contiguous molecule. Not appropriate for
     5304continuous structures (a warning will appear)</p>
     5305
     5306<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l32 level1 lfo16'><![if !supportLists]><span
     5307style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5308Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5309</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Create