Changeset 4966


Ignore:
Timestamp:
Jun 21, 2021 5:18:35 PM (3 months ago)
Author:
vondreele
Message:

revise help items - new enties

Location:
trunk/help
Files:
50 added
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/gsasII-phase.html

    r4964 r4966  
    2424 <o:DocumentProperties>
    2525  <o:Author>Von Dreele</o:Author>
    26   <o:LastAuthor>Toby, Brian H.</o:LastAuthor>
    27   <o:Revision>3</o:Revision>
    28   <o:TotalTime>4539</o:TotalTime>
     26  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
     27  <o:Revision>24</o:Revision>
     28  <o:TotalTime>5102</o:TotalTime>
    2929  <o:Created>2021-06-20T02:30:00Z</o:Created>
    30   <o:LastSaved>2021-06-20T02:38:00Z</o:LastSaved>
    31   <o:Pages>20</o:Pages>
    32   <o:Words>7443</o:Words>
    33   <o:Characters>42428</o:Characters>
     30  <o:LastSaved>2021-06-21T22:12:00Z</o:LastSaved>
     31  <o:Pages>1</o:Pages>
     32  <o:Words>8188</o:Words>
     33  <o:Characters>46677</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>353</o:Lines>
    36   <o:Paragraphs>99</o:Paragraphs>
    37   <o:CharactersWithSpaces>49772</o:CharactersWithSpaces>
     35  <o:Lines>388</o:Lines>
     36  <o:Paragraphs>109</o:Paragraphs>
     37  <o:CharactersWithSpaces>54756</o:CharactersWithSpaces>
    3838  <o:Version>16.00</o:Version>
    3939 </o:DocumentProperties>
     
    4242 </o:OfficeDocumentSettings>
    4343</xml><![endif]-->
    44 <link rel=dataStoreItem href="gsasII-phase_files/item0060.xml"
    45 target="gsasII-phase_files/props061.xml">
     44<link rel=dataStoreItem href="gsasII-phase_files/item0054.xml"
     45target="gsasII-phase_files/props055.xml">
    4646<link rel=themeData href="gsasII-phase_files/themedata.thmx">
    4747<link rel=colorSchemeMapping href="gsasII-phase_files/colorschememapping.xml">
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    4949 <w:WordDocument>
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    51   <w:Zoom>197</w:Zoom>
    52   <w:SpellingState>Clean</w:SpellingState>
    53   <w:GrammarState>Clean</w:GrammarState>
     50  <w:Zoom>188</w:Zoom>
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    5552  <w:TrackFormatting/>
     
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     689        mso-generic-font-family:auto;
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    694         mso-font-signature:3 0 0 0 1 0;}
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    695692@font-face
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    948952a:link, span.MsoHyperlink
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     1334        text-indent:-.25in;}
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     1351        text-indent:-.25in;}
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     1354        mso-level-number-position:left;
     1355        text-indent:-.25in;}
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     1358        mso-level-number-position:left;
     1359        text-indent:-.25in;}
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     1362        mso-level-number-position:left;
     1363        text-indent:-.25in;}
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     1375@list l1:level2
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    13431382        font-family:"Courier New";
    13441383        mso-bidi-font-family:"Times New Roman";}
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    13631402        mso-level-text:;
     
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    13711410        mso-level-text:;
     
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     1424@list l1:level8
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    13871426        mso-level-text:;
     
    13911430        mso-ansi-font-size:10.0pt;
    13921431        font-family:Wingdings;}
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     1432@list l1:level9
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    13951434        mso-level-text:;
     
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    1412         mso-level-tab-stop:none;
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    1415         text-indent:-.25in;}
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    1425         margin-left:2.5in;
    1426         text-indent:-.25in;}
    1427 @list l1:level5
    1428         {mso-level-number-format:alpha-lower;
    1429         mso-level-tab-stop:none;
    1430         mso-level-number-position:left;
    1431         margin-left:3.0in;
    1432         text-indent:-.25in;}
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    1435         mso-level-tab-stop:none;
    1436         mso-level-number-position:right;
    1437         margin-left:3.5in;
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    1439 @list l1:level7
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    1441         mso-level-number-position:left;
    1442         margin-left:4.0in;
    1443         text-indent:-.25in;}
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    1446         mso-level-tab-stop:none;
    1447         mso-level-number-position:left;
    1448         margin-left:4.5in;
    1449         text-indent:-.25in;}
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    1452         mso-level-tab-stop:none;
    1453         mso-level-number-position:right;
    1454         margin-left:5.0in;
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    1458         mso-list-type:hybrid;
    1459         mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1443        mso-list-template-ids:1455452774 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
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    14741458@list l2:level4
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     1459        {mso-level-tab-stop:none;
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    1481         text-indent:-.25in;}
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    1488         mso-level-number-position:left;
    1489         text-indent:-.25in;}
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    1492         mso-level-number-position:left;
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    1496         mso-level-number-position:left;
    1497         text-indent:-.25in;}
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    1500         mso-list-template-ids:1154798170;}
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    1502         {mso-level-number-format:bullet;
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    1508         font-family:Symbol;}
    1509 @list l3:level2
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    1516         font-family:"Courier New";
    1517         mso-bidi-font-family:"Times New Roman";}
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    1525         font-family:Wingdings;}
    1526 @list l3:level4
    1527         {mso-level-number-format:bullet;
    1528         mso-level-text:;
    1529         mso-level-tab-stop:2.0in;
    1530         mso-level-number-position:left;
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    1533         font-family:Wingdings;}
    1534 @list l3:level5
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    1536         mso-level-text:;
    1537         mso-level-tab-stop:2.5in;
    1538         mso-level-number-position:left;
    1539         text-indent:-.25in;
    1540         mso-ansi-font-size:10.0pt;
    1541         font-family:Wingdings;}
    1542 @list l3:level6
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    1544         mso-level-text:;
    1545         mso-level-tab-stop:3.0in;
    1546         mso-level-number-position:left;
    1547         text-indent:-.25in;
    1548         mso-ansi-font-size:10.0pt;
    1549         font-family:Wingdings;}
    1550 @list l3:level7
    1551         {mso-level-number-format:bullet;
    1552         mso-level-text:;
    1553         mso-level-tab-stop:3.5in;
    1554         mso-level-number-position:left;
    1555         text-indent:-.25in;
    1556         mso-ansi-font-size:10.0pt;
    1557         font-family:Wingdings;}
    1558 @list l3:level8
    1559         {mso-level-number-format:bullet;
    1560         mso-level-text:;
    1561         mso-level-tab-stop:4.0in;
    1562         mso-level-number-position:left;
    1563         text-indent:-.25in;
    1564         mso-ansi-font-size:10.0pt;
    1565         font-family:Wingdings;}
    1566 @list l3:level9
    1567         {mso-level-number-format:bullet;
    1568         mso-level-text:;
    1569         mso-level-tab-stop:4.5in;
    1570         mso-level-number-position:left;
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    1574 @list l4
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    1576         mso-list-template-ids:456303472;}
    1577 @list l4:level1
    1578         {mso-level-number-format:bullet;
    1579         mso-level-text:;
    1580         mso-level-tab-stop:.5in;
    1581         mso-level-number-position:left;
    1582         text-indent:-.25in;
    1583         mso-ansi-font-size:10.0pt;
    1584         font-family:Symbol;}
    1585 @list l4:level2
    1586         {mso-level-number-format:bullet;
    1587         mso-level-text:o;
    1588         mso-level-tab-stop:1.0in;
    1589         mso-level-number-position:left;
    1590         text-indent:-.25in;
    1591         mso-ansi-font-size:10.0pt;
    1592         font-family:"Courier New";
    1593         mso-bidi-font-family:"Times New Roman";}
    1594 @list l4:level3
    1595         {mso-level-number-format:bullet;
    1596         mso-level-text:;
    1597         mso-level-tab-stop:1.5in;
    1598         mso-level-number-position:left;
    1599         text-indent:-.25in;
    1600         mso-ansi-font-size:10.0pt;
    1601         font-family:Wingdings;}
    1602 @list l4:level4
    1603         {mso-level-number-format:bullet;
    1604         mso-level-text:;
    1605         mso-level-tab-stop:2.0in;
    1606         mso-level-number-position:left;
    1607         text-indent:-.25in;
    1608         mso-ansi-font-size:10.0pt;
    1609         font-family:Wingdings;}
    1610 @list l4:level5
    1611         {mso-level-number-format:bullet;
    1612         mso-level-text:;
    1613         mso-level-tab-stop:2.5in;
    1614         mso-level-number-position:left;
    1615         text-indent:-.25in;
    1616         mso-ansi-font-size:10.0pt;
    1617         font-family:Wingdings;}
    1618 @list l4:level6
    1619         {mso-level-number-format:bullet;
    1620         mso-level-text:;
    1621         mso-level-tab-stop:3.0in;
    1622         mso-level-number-position:left;
    1623         text-indent:-.25in;
    1624         mso-ansi-font-size:10.0pt;
    1625         font-family:Wingdings;}
    1626 @list l4:level7
    1627         {mso-level-number-format:bullet;
    1628         mso-level-text:;
    1629         mso-level-tab-stop:3.5in;
    1630         mso-level-number-position:left;
    1631         text-indent:-.25in;
    1632         mso-ansi-font-size:10.0pt;
    1633         font-family:Wingdings;}
    1634 @list l4:level8
    1635         {mso-level-number-format:bullet;
    1636         mso-level-text:;
    1637         mso-level-tab-stop:4.0in;
    1638         mso-level-number-position:left;
    1639         text-indent:-.25in;
    1640         mso-ansi-font-size:10.0pt;
    1641         font-family:Wingdings;}
    1642 @list l4:level9
    1643         {mso-level-number-format:bullet;
    1644         mso-level-text:;
    1645         mso-level-tab-stop:4.5in;
    1646         mso-level-number-position:left;
    1647         text-indent:-.25in;
    1648         mso-ansi-font-size:10.0pt;
    1649         font-family:Wingdings;}
    1650 @list l5
    1651         {mso-list-id:248927538;
    1652         mso-list-type:hybrid;
    1653         mso-list-template-ids:1455452774 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1654 @list l5:level1
    1655         {mso-level-tab-stop:none;
    1656         mso-level-number-position:left;
    1657         text-indent:-.25in;}
    1658 @list l5:level2
    16591463        {mso-level-number-format:alpha-lower;
    16601464        mso-level-tab-stop:none;
    16611465        mso-level-number-position:left;
    16621466        text-indent:-.25in;}
    1663 @list l5:level3
     1467@list l2:level6
    16641468        {mso-level-number-format:roman-lower;
    16651469        mso-level-tab-stop:none;
    16661470        mso-level-number-position:right;
    16671471        text-indent:-9.0pt;}
    1668 @list l5:level4
     1472@list l2:level7
    16691473        {mso-level-tab-stop:none;
    16701474        mso-level-number-position:left;
    16711475        text-indent:-.25in;}
    1672 @list l5:level5
     1476@list l2:level8
    16731477        {mso-level-number-format:alpha-lower;
    16741478        mso-level-tab-stop:none;
    16751479        mso-level-number-position:left;
    16761480        text-indent:-.25in;}
    1677 @list l5:level6
     1481@list l2:level9
    16781482        {mso-level-number-format:roman-lower;
    16791483        mso-level-tab-stop:none;
    16801484        mso-level-number-position:right;
    16811485        text-indent:-9.0pt;}
    1682 @list l5:level7
    1683         {mso-level-tab-stop:none;
    1684         mso-level-number-position:left;
    1685         text-indent:-.25in;}
    1686 @list l5:level8
     1486@list l3
     1487        {mso-list-id:554396151;
     1488        mso-list-type:hybrid;
     1489        mso-list-template-ids:-84661598 67698713 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1490@list l3:level1
    16871491        {mso-level-number-format:alpha-lower;
    16881492        mso-level-tab-stop:none;
    16891493        mso-level-number-position:left;
    1690         text-indent:-.25in;}
    1691 @list l5:level9
     1494        margin-left:1.25in;
     1495        text-indent:-.25in;}
     1496@list l3:level2
     1497        {mso-level-number-format:alpha-lower;
     1498        mso-level-tab-stop:none;
     1499        mso-level-number-position:left;
     1500        margin-left:1.75in;
     1501        text-indent:-.25in;}
     1502@list l3:level3
    16921503        {mso-level-number-format:roman-lower;
    16931504        mso-level-tab-stop:none;
    16941505        mso-level-number-position:right;
     1506        margin-left:2.25in;
    16951507        text-indent:-9.0pt;}
     1508@list l3:level4
     1509        {mso-level-tab-stop:none;
     1510        mso-level-number-position:left;
     1511        margin-left:2.75in;
     1512        text-indent:-.25in;}
     1513@list l3:level5
     1514        {mso-level-number-format:alpha-lower;
     1515        mso-level-tab-stop:none;
     1516        mso-level-number-position:left;
     1517        margin-left:3.25in;
     1518        text-indent:-.25in;}
     1519@list l3:level6
     1520        {mso-level-number-format:roman-lower;
     1521        mso-level-tab-stop:none;
     1522        mso-level-number-position:right;
     1523        margin-left:3.75in;
     1524        text-indent:-9.0pt;}
     1525@list l3:level7
     1526        {mso-level-tab-stop:none;
     1527        mso-level-number-position:left;
     1528        margin-left:4.25in;
     1529        text-indent:-.25in;}
     1530@list l3:level8
     1531        {mso-level-number-format:alpha-lower;
     1532        mso-level-tab-stop:none;
     1533        mso-level-number-position:left;
     1534        margin-left:4.75in;
     1535        text-indent:-.25in;}
     1536@list l3:level9
     1537        {mso-level-number-format:roman-lower;
     1538        mso-level-tab-stop:none;
     1539        mso-level-number-position:right;
     1540        margin-left:5.25in;
     1541        text-indent:-9.0pt;}
     1542@list l4
     1543        {mso-list-id:617220658;
     1544        mso-list-type:hybrid;
     1545        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1546@list l4:level1
     1547        {mso-level-tab-stop:none;
     1548        mso-level-number-position:left;
     1549        text-indent:-.25in;}
     1550@list l4:level2
     1551        {mso-level-tab-stop:1.0in;
     1552        mso-level-number-position:left;
     1553        text-indent:-.25in;}
     1554@list l4:level3
     1555        {mso-level-tab-stop:1.5in;
     1556        mso-level-number-position:left;
     1557        text-indent:-.25in;}
     1558@list l4:level4
     1559        {mso-level-tab-stop:2.0in;
     1560        mso-level-number-position:left;
     1561        text-indent:-.25in;}
     1562@list l4:level5
     1563        {mso-level-tab-stop:2.5in;
     1564        mso-level-number-position:left;
     1565        text-indent:-.25in;}
     1566@list l4:level6
     1567        {mso-level-tab-stop:3.0in;
     1568        mso-level-number-position:left;
     1569        text-indent:-.25in;}
     1570@list l4:level7
     1571        {mso-level-tab-stop:3.5in;
     1572        mso-level-number-position:left;
     1573        text-indent:-.25in;}
     1574@list l4:level8
     1575        {mso-level-tab-stop:4.0in;
     1576        mso-level-number-position:left;
     1577        text-indent:-.25in;}
     1578@list l4:level9
     1579        {mso-level-tab-stop:4.5in;
     1580        mso-level-number-position:left;
     1581        text-indent:-.25in;}
     1582@list l5
     1583        {mso-list-id:702557187;
     1584        mso-list-type:hybrid;
     1585        mso-list-template-ids:1734124456 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     1586@list l5:level1
     1587        {mso-level-number-format:bullet;
     1588        mso-level-text:;
     1589        mso-level-tab-stop:none;
     1590        mso-level-number-position:left;
     1591        margin-left:39.2pt;
     1592        text-indent:-.25in;
     1593        font-family:Symbol;}
     1594@list l5:level2
     1595        {mso-level-number-format:bullet;
     1596        mso-level-text:o;
     1597        mso-level-tab-stop:none;
     1598        mso-level-number-position:left;
     1599        margin-left:75.2pt;
     1600        text-indent:-.25in;
     1601        font-family:"Courier New";}
     1602@list l5:level3
     1603        {mso-level-number-format:bullet;
     1604        mso-level-text:;
     1605        mso-level-tab-stop:none;
     1606        mso-level-number-position:left;
     1607        margin-left:111.2pt;
     1608        text-indent:-.25in;
     1609        font-family:Wingdings;}
     1610@list l5:level4
     1611        {mso-level-number-format:bullet;
     1612        mso-level-text:;
     1613        mso-level-tab-stop:none;
     1614        mso-level-number-position:left;
     1615        margin-left:147.2pt;
     1616        text-indent:-.25in;
     1617        font-family:Symbol;}
     1618@list l5:level5
     1619        {mso-level-number-format:bullet;
     1620        mso-level-text:o;
     1621        mso-level-tab-stop:none;
     1622        mso-level-number-position:left;
     1623        margin-left:183.2pt;
     1624        text-indent:-.25in;
     1625        font-family:"Courier New";}
     1626@list l5:level6
     1627        {mso-level-number-format:bullet;
     1628        mso-level-text:;
     1629        mso-level-tab-stop:none;
     1630        mso-level-number-position:left;
     1631        margin-left:219.2pt;
     1632        text-indent:-.25in;
     1633        font-family:Wingdings;}
     1634@list l5:level7
     1635        {mso-level-number-format:bullet;
     1636        mso-level-text:;
     1637        mso-level-tab-stop:none;
     1638        mso-level-number-position:left;
     1639        margin-left:255.2pt;
     1640        text-indent:-.25in;
     1641        font-family:Symbol;}
     1642@list l5:level8
     1643        {mso-level-number-format:bullet;
     1644        mso-level-text:o;
     1645        mso-level-tab-stop:none;
     1646        mso-level-number-position:left;
     1647        margin-left:291.2pt;
     1648        text-indent:-.25in;
     1649        font-family:"Courier New";}
     1650@list l5:level9
     1651        {mso-level-number-format:bullet;
     1652        mso-level-text:;
     1653        mso-level-tab-stop:none;
     1654        mso-level-number-position:left;
     1655        margin-left:327.2pt;
     1656        text-indent:-.25in;
     1657        font-family:Wingdings;}
    16961658@list l6
    1697         {mso-list-id:268514595;
     1659        {mso-list-id:885795814;
    16981660        mso-list-type:hybrid;
    1699         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1661        mso-list-template-ids:-1253415012 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    17001662@list l6:level1
     1663        {mso-level-number-format:bullet;
     1664        mso-level-text:;
     1665        mso-level-tab-stop:none;
     1666        mso-level-number-position:left;
     1667        margin-left:.25in;
     1668        text-indent:-.25in;
     1669        font-family:Symbol;}
     1670@list l6:level2
     1671        {mso-level-number-format:bullet;
     1672        mso-level-text:o;
     1673        mso-level-tab-stop:none;
     1674        mso-level-number-position:left;
     1675        margin-left:.75in;
     1676        text-indent:-.25in;
     1677        font-family:"Courier New";}
     1678@list l6:level3
     1679        {mso-level-number-format:bullet;
     1680        mso-level-text:;
     1681        mso-level-tab-stop:none;
     1682        mso-level-number-position:left;
     1683        margin-left:1.25in;
     1684        text-indent:-.25in;
     1685        font-family:Wingdings;}
     1686@list l6:level4
     1687        {mso-level-number-format:bullet;
     1688        mso-level-text:;
     1689        mso-level-tab-stop:none;
     1690        mso-level-number-position:left;
     1691        margin-left:1.75in;
     1692        text-indent:-.25in;
     1693        font-family:Symbol;}
     1694@list l6:level5
     1695        {mso-level-number-format:bullet;
     1696        mso-level-text:o;
     1697        mso-level-tab-stop:none;
     1698        mso-level-number-position:left;
     1699        margin-left:2.25in;
     1700        text-indent:-.25in;
     1701        font-family:"Courier New";}
     1702@list l6:level6
     1703        {mso-level-number-format:bullet;
     1704        mso-level-text:;
     1705        mso-level-tab-stop:none;
     1706        mso-level-number-position:left;
     1707        margin-left:2.75in;
     1708        text-indent:-.25in;
     1709        font-family:Wingdings;}
     1710@list l6:level7
     1711        {mso-level-number-format:bullet;
     1712        mso-level-text:;
     1713        mso-level-tab-stop:none;
     1714        mso-level-number-position:left;
     1715        margin-left:3.25in;
     1716        text-indent:-.25in;
     1717        font-family:Symbol;}
     1718@list l6:level8
     1719        {mso-level-number-format:bullet;
     1720        mso-level-text:o;
     1721        mso-level-tab-stop:none;
     1722        mso-level-number-position:left;
     1723        margin-left:3.75in;
     1724        text-indent:-.25in;
     1725        font-family:"Courier New";}
     1726@list l6:level9
     1727        {mso-level-number-format:bullet;
     1728        mso-level-text:;
     1729        mso-level-tab-stop:none;
     1730        mso-level-number-position:left;
     1731        margin-left:4.25in;
     1732        text-indent:-.25in;
     1733        font-family:Wingdings;}
     1734@list l7
     1735        {mso-list-id:912159059;
     1736        mso-list-type:hybrid;
     1737        mso-list-template-ids:-2113796054 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1738@list l7:level1
     1739        {mso-level-tab-stop:none;
     1740        mso-level-number-position:left;
     1741        margin-left:63.8pt;
     1742        text-indent:-.25in;}
     1743@list l7:level2
     1744        {mso-level-number-format:alpha-lower;
     1745        mso-level-tab-stop:none;
     1746        mso-level-number-position:left;
     1747        margin-left:99.8pt;
     1748        text-indent:-.25in;}
     1749@list l7:level3
     1750        {mso-level-number-format:roman-lower;
     1751        mso-level-tab-stop:none;
     1752        mso-level-number-position:right;
     1753        margin-left:135.8pt;
     1754        text-indent:-9.0pt;}
     1755@list l7:level4
     1756        {mso-level-tab-stop:none;
     1757        mso-level-number-position:left;
     1758        margin-left:171.8pt;
     1759        text-indent:-.25in;}
     1760@list l7:level5
     1761        {mso-level-number-format:alpha-lower;
     1762        mso-level-tab-stop:none;
     1763        mso-level-number-position:left;
     1764        margin-left:207.8pt;
     1765        text-indent:-.25in;}
     1766@list l7:level6
     1767        {mso-level-number-format:roman-lower;
     1768        mso-level-tab-stop:none;
     1769        mso-level-number-position:right;
     1770        margin-left:243.8pt;
     1771        text-indent:-9.0pt;}
     1772@list l7:level7
     1773        {mso-level-tab-stop:none;
     1774        mso-level-number-position:left;
     1775        margin-left:279.8pt;
     1776        text-indent:-.25in;}
     1777@list l7:level8
     1778        {mso-level-number-format:alpha-lower;
     1779        mso-level-tab-stop:none;
     1780        mso-level-number-position:left;
     1781        margin-left:315.8pt;
     1782        text-indent:-.25in;}
     1783@list l7:level9
     1784        {mso-level-number-format:roman-lower;
     1785        mso-level-tab-stop:none;
     1786        mso-level-number-position:right;
     1787        margin-left:351.8pt;
     1788        text-indent:-9.0pt;}
     1789@list l8
     1790        {mso-list-id:919948450;
     1791        mso-list-template-ids:-445226636;}
     1792@list l8:level1
     1793        {mso-level-tab-stop:none;
     1794        mso-level-number-position:left;
     1795        text-indent:-.25in;}
     1796@list l8:level2
     1797        {mso-level-number-format:alpha-lower;
     1798        mso-level-tab-stop:1.0in;
     1799        mso-level-number-position:left;
     1800        text-indent:-.25in;}
     1801@list l8:level3
     1802        {mso-level-tab-stop:1.5in;
     1803        mso-level-number-position:left;
     1804        text-indent:-.25in;}
     1805@list l8:level4
     1806        {mso-level-number-format:alpha-lower;
     1807        mso-level-tab-stop:2.0in;
     1808        mso-level-number-position:left;
     1809        text-indent:-.25in;}
     1810@list l8:level5
     1811        {mso-level-tab-stop:2.5in;
     1812        mso-level-number-position:left;
     1813        text-indent:-.25in;}
     1814@list l8:level6
     1815        {mso-level-tab-stop:3.0in;
     1816        mso-level-number-position:left;
     1817        text-indent:-.25in;}
     1818@list l8:level7
     1819        {mso-level-tab-stop:3.5in;
     1820        mso-level-number-position:left;
     1821        text-indent:-.25in;}
     1822@list l8:level8
     1823        {mso-level-tab-stop:4.0in;
     1824        mso-level-number-position:left;
     1825        text-indent:-.25in;}
     1826@list l8:level9
     1827        {mso-level-tab-stop:4.5in;
     1828        mso-level-number-position:left;
     1829        text-indent:-.25in;}
     1830@list l9
     1831        {mso-list-id:1005204035;
     1832        mso-list-template-ids:-445226636;}
     1833@list l9:level1
     1834        {mso-level-tab-stop:none;
     1835        mso-level-number-position:left;
     1836        margin-left:63.8pt;
     1837        text-indent:-.25in;}
     1838@list l9:level2
     1839        {mso-level-number-format:alpha-lower;
     1840        mso-level-tab-stop:99.8pt;
     1841        mso-level-number-position:left;
     1842        margin-left:99.8pt;
     1843        text-indent:-.25in;}
     1844@list l9:level3
     1845        {mso-level-tab-stop:135.8pt;
     1846        mso-level-number-position:left;
     1847        margin-left:135.8pt;
     1848        text-indent:-.25in;}
     1849@list l9:level4
     1850        {mso-level-number-format:alpha-lower;
     1851        mso-level-tab-stop:171.8pt;
     1852        mso-level-number-position:left;
     1853        margin-left:171.8pt;
     1854        text-indent:-.25in;}
     1855@list l9:level5
     1856        {mso-level-tab-stop:207.8pt;
     1857        mso-level-number-position:left;
     1858        margin-left:207.8pt;
     1859        text-indent:-.25in;}
     1860@list l9:level6
     1861        {mso-level-tab-stop:243.8pt;
     1862        mso-level-number-position:left;
     1863        margin-left:243.8pt;
     1864        text-indent:-.25in;}
     1865@list l9:level7
     1866        {mso-level-tab-stop:279.8pt;
     1867        mso-level-number-position:left;
     1868        margin-left:279.8pt;
     1869        text-indent:-.25in;}
     1870@list l9:level8
     1871        {mso-level-tab-stop:315.8pt;
     1872        mso-level-number-position:left;
     1873        margin-left:315.8pt;
     1874        text-indent:-.25in;}
     1875@list l9:level9
     1876        {mso-level-tab-stop:351.8pt;
     1877        mso-level-number-position:left;
     1878        margin-left:351.8pt;
     1879        text-indent:-.25in;}
     1880@list l10
     1881        {mso-list-id:1074664733;
     1882        mso-list-type:hybrid;
     1883        mso-list-template-ids:-861403150 1141245230 67698713 67698703 67698703 67698713 67698715 67698703 67698713 67698715;}
     1884@list l10:level1
    17011885        {mso-level-number-format:alpha-lower;
    17021886        mso-level-tab-stop:none;
     
    17051889        text-indent:-.25in;
    17061890        mso-ansi-font-weight:normal;}
    1707 @list l6:level2
    1708         {mso-level-tab-stop:1.0in;
    1709         mso-level-number-position:left;
    1710         text-indent:-.25in;}
    1711 @list l6:level3
    1712         {mso-level-tab-stop:112.5pt;
    1713         mso-level-number-position:left;
    1714         margin-left:112.5pt;
    1715         text-indent:-.25in;}
    1716 @list l6:level4
    1717         {mso-level-tab-stop:2.0in;
    1718         mso-level-number-position:left;
    1719         text-indent:-.25in;}
    1720 @list l6:level5
    1721         {mso-level-tab-stop:2.5in;
    1722         mso-level-number-position:left;
    1723         text-indent:-.25in;}
    1724 @list l6:level6
    1725         {mso-level-tab-stop:3.0in;
    1726         mso-level-number-position:left;
    1727         text-indent:-.25in;}
    1728 @list l6:level7
    1729         {mso-level-tab-stop:3.5in;
    1730         mso-level-number-position:left;
    1731         text-indent:-.25in;}
    1732 @list l6:level8
    1733         {mso-level-tab-stop:4.0in;
    1734         mso-level-number-position:left;
    1735         text-indent:-.25in;}
    1736 @list l6:level9
    1737         {mso-level-tab-stop:4.5in;
    1738         mso-level-number-position:left;
    1739         text-indent:-.25in;}
    1740 @list l7
    1741         {mso-list-id:273561754;
    1742         mso-list-template-ids:1775139198;}
    1743 @list l7:level1
    1744         {mso-level-number-format:bullet;
    1745         mso-level-text:;
    1746         mso-level-tab-stop:.5in;
    1747         mso-level-number-position:left;
    1748         text-indent:-.25in;
    1749         mso-ansi-font-size:10.0pt;
    1750         font-family:Symbol;}
    1751 @list l7:level2
    1752         {mso-level-number-format:bullet;
    1753         mso-level-text:o;
    1754         mso-level-tab-stop:1.0in;
    1755         mso-level-number-position:left;
    1756         text-indent:-.25in;
    1757         mso-ansi-font-size:10.0pt;
    1758         font-family:"Courier New";
    1759         mso-bidi-font-family:"Times New Roman";}
    1760 @list l7:level3
    1761         {mso-level-number-format:bullet;
    1762         mso-level-text:;
    1763         mso-level-tab-stop:1.5in;
    1764         mso-level-number-position:left;
    1765         text-indent:-.25in;
    1766         mso-ansi-font-size:10.0pt;
    1767         font-family:Wingdings;}
    1768 @list l7:level4
    1769         {mso-level-number-format:bullet;
    1770         mso-level-text:;
    1771         mso-level-tab-stop:2.0in;
    1772         mso-level-number-position:left;
    1773         text-indent:-.25in;
    1774         mso-ansi-font-size:10.0pt;
    1775         font-family:Wingdings;}
    1776 @list l7:level5
    1777         {mso-level-number-format:bullet;
    1778         mso-level-text:;
    1779         mso-level-tab-stop:2.5in;
    1780         mso-level-number-position:left;
    1781         text-indent:-.25in;
    1782         mso-ansi-font-size:10.0pt;
    1783         font-family:Wingdings;}
    1784 @list l7:level6
    1785         {mso-level-number-format:bullet;
    1786         mso-level-text:;
    1787         mso-level-tab-stop:3.0in;
    1788         mso-level-number-position:left;
    1789         text-indent:-.25in;
    1790         mso-ansi-font-size:10.0pt;
    1791         font-family:Wingdings;}
    1792 @list l7:level7
    1793         {mso-level-number-format:bullet;
    1794         mso-level-text:;
    1795         mso-level-tab-stop:3.5in;
    1796         mso-level-number-position:left;
    1797         text-indent:-.25in;
    1798         mso-ansi-font-size:10.0pt;
    1799         font-family:Wingdings;}
    1800 @list l7:level8
    1801         {mso-level-number-format:bullet;
    1802         mso-level-text:;
    1803         mso-level-tab-stop:4.0in;
    1804         mso-level-number-position:left;
    1805         text-indent:-.25in;
    1806         mso-ansi-font-size:10.0pt;
    1807         font-family:Wingdings;}
    1808 @list l7:level9
    1809         {mso-level-number-format:bullet;
    1810         mso-level-text:;
    1811         mso-level-tab-stop:4.5in;
    1812         mso-level-number-position:left;
    1813         text-indent:-.25in;
    1814         mso-ansi-font-size:10.0pt;
    1815         font-family:Wingdings;}
    1816 @list l8
    1817         {mso-list-id:395513838;
    1818         mso-list-template-ids:-1930940720;}
    1819 @list l8:level1
    1820         {mso-level-number-format:bullet;
    1821         mso-level-text:;
    1822         mso-level-tab-stop:.5in;
    1823         mso-level-number-position:left;
    1824         text-indent:-.25in;
    1825         mso-ansi-font-size:10.0pt;
    1826         font-family:Symbol;}
    1827 @list l8:level2
    1828         {mso-level-number-format:bullet;
    1829         mso-level-text:o;
    1830         mso-level-tab-stop:1.0in;
    1831         mso-level-number-position:left;
    1832         text-indent:-.25in;
    1833         mso-ansi-font-size:10.0pt;
    1834         font-family:"Courier New";
    1835         mso-bidi-font-family:"Times New Roman";}
    1836 @list l8:level3
    1837         {mso-level-number-format:bullet;
    1838         mso-level-text:;
    1839         mso-level-tab-stop:1.5in;
    1840         mso-level-number-position:left;
    1841         text-indent:-.25in;
    1842         mso-ansi-font-size:10.0pt;
    1843         font-family:Wingdings;}
    1844 @list l8:level4
    1845         {mso-level-number-format:bullet;
    1846         mso-level-text:;
    1847         mso-level-tab-stop:2.0in;
    1848         mso-level-number-position:left;
    1849         text-indent:-.25in;
    1850         mso-ansi-font-size:10.0pt;
    1851         font-family:Wingdings;}
    1852 @list l8:level5
    1853         {mso-level-number-format:bullet;
    1854         mso-level-text:;
    1855         mso-level-tab-stop:2.5in;
    1856         mso-level-number-position:left;
    1857         text-indent:-.25in;
    1858         mso-ansi-font-size:10.0pt;
    1859         font-family:Wingdings;}
    1860 @list l8:level6
    1861         {mso-level-number-format:bullet;
    1862         mso-level-text:;
    1863         mso-level-tab-stop:3.0in;
    1864         mso-level-number-position:left;
    1865         text-indent:-.25in;
    1866         mso-ansi-font-size:10.0pt;
    1867         font-family:Wingdings;}
    1868 @list l8:level7
    1869         {mso-level-number-format:bullet;
    1870         mso-level-text:;
    1871         mso-level-tab-stop:3.5in;
    1872         mso-level-number-position:left;
    1873         text-indent:-.25in;
    1874         mso-ansi-font-size:10.0pt;
    1875         font-family:Wingdings;}
    1876 @list l8:level8
    1877         {mso-level-number-format:bullet;
    1878         mso-level-text:;
    1879         mso-level-tab-stop:4.0in;
    1880         mso-level-number-position:left;
    1881         text-indent:-.25in;
    1882         mso-ansi-font-size:10.0pt;
    1883         font-family:Wingdings;}
    1884 @list l8:level9
    1885         {mso-level-number-format:bullet;
    1886         mso-level-text:;
    1887         mso-level-tab-stop:4.5in;
    1888         mso-level-number-position:left;
    1889         text-indent:-.25in;
    1890         mso-ansi-font-size:10.0pt;
    1891         font-family:Wingdings;}
    1892 @list l9
    1893         {mso-list-id:586499601;
    1894         mso-list-template-ids:-1875747298;}
    1895 @list l9:level1
    1896         {mso-level-tab-stop:.5in;
    1897         mso-level-number-position:left;
    1898         text-indent:-.25in;}
    1899 @list l9:level2
    1900         {mso-level-tab-stop:1.0in;
    1901         mso-level-number-position:left;
    1902         text-indent:-.25in;}
    1903 @list l9:level3
    1904         {mso-level-tab-stop:1.5in;
    1905         mso-level-number-position:left;
    1906         text-indent:-.25in;}
    1907 @list l9:level4
    1908         {mso-level-tab-stop:2.0in;
    1909         mso-level-number-position:left;
    1910         text-indent:-.25in;}
    1911 @list l9:level5
    1912         {mso-level-tab-stop:2.5in;
    1913         mso-level-number-position:left;
    1914         text-indent:-.25in;}
    1915 @list l9:level6
    1916         {mso-level-tab-stop:3.0in;
    1917         mso-level-number-position:left;
    1918         text-indent:-.25in;}
    1919 @list l9:level7
    1920         {mso-level-tab-stop:3.5in;
    1921         mso-level-number-position:left;
    1922         text-indent:-.25in;}
    1923 @list l9:level8
    1924         {mso-level-tab-stop:4.0in;
    1925         mso-level-number-position:left;
    1926         text-indent:-.25in;}
    1927 @list l9:level9
    1928         {mso-level-tab-stop:4.5in;
    1929         mso-level-number-position:left;
    1930         text-indent:-.25in;}
    1931 @list l10
    1932         {mso-list-id:617220658;
    1933         mso-list-type:hybrid;
    1934         mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1935 @list l10:level1
    1936         {mso-level-tab-stop:none;
    1937         mso-level-number-position:left;
    1938         text-indent:-.25in;}
    19391891@list l10:level2
    1940         {mso-level-tab-stop:1.0in;
     1892        {mso-level-number-format:alpha-lower;
     1893        mso-level-tab-stop:none;
    19411894        mso-level-number-position:left;
    19421895        text-indent:-.25in;}
     
    19701923        text-indent:-.25in;}
    19711924@list l11
    1972         {mso-list-id:734669460;
    1973         mso-list-type:hybrid;
    1974         mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1925        {mso-list-id:1127436158;
     1926        mso-list-template-ids:-445226636;}
    19751927@list l11:level1
    19761928        {mso-level-tab-stop:none;
     
    19781930        text-indent:-.25in;}
    19791931@list l11:level2
    1980         {mso-level-tab-stop:1.0in;
     1932        {mso-level-number-format:alpha-lower;
     1933        mso-level-tab-stop:1.0in;
    19811934        mso-level-number-position:left;
    19821935        text-indent:-.25in;}
     
    19861939        text-indent:-.25in;}
    19871940@list l11:level4
    1988         {mso-level-tab-stop:2.0in;
     1941        {mso-level-number-format:alpha-lower;
     1942        mso-level-tab-stop:2.0in;
    19891943        mso-level-number-position:left;
    19901944        text-indent:-.25in;}
     
    20101964        text-indent:-.25in;}
    20111965@list l12
    2012         {mso-list-id:850026630;
     1966        {mso-list-id:1130516346;
    20131967        mso-list-type:hybrid;
    2014         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1968        mso-list-template-ids:-1544127308 67698713 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    20151969@list l12:level1
    2016         {mso-level-tab-stop:none;
    2017         mso-level-number-position:left;
     1970        {mso-level-number-format:alpha-lower;
     1971        mso-level-tab-stop:none;
     1972        mso-level-number-position:left;
     1973        margin-left:1.5in;
    20181974        text-indent:-.25in;}
    20191975@list l12:level2
     
    20211977        mso-level-tab-stop:none;
    20221978        mso-level-number-position:left;
     1979        margin-left:2.0in;
    20231980        text-indent:-.25in;}
    20241981@list l12:level3
    2025         {mso-level-tab-stop:1.5in;
    2026         mso-level-number-position:left;
    2027         text-indent:-.25in;}
     1982        {mso-level-number-format:roman-lower;
     1983        mso-level-tab-stop:none;
     1984        mso-level-number-position:right;
     1985        margin-left:2.5in;
     1986        text-indent:-9.0pt;}
    20281987@list l12:level4
    2029         {mso-level-tab-stop:2.0in;
    2030         mso-level-number-position:left;
     1988        {mso-level-tab-stop:none;
     1989        mso-level-number-position:left;
     1990        margin-left:3.0in;
    20311991        text-indent:-.25in;}
    20321992@list l12:level5
    2033         {mso-level-tab-stop:2.5in;
    2034         mso-level-number-position:left;
    2035         text-indent:-.25in;}
    2036 @list l12:level6
    2037         {mso-level-tab-stop:3.0in;
    2038         mso-level-number-position:left;
    2039         text-indent:-.25in;}
    2040 @list l12:level7
    2041         {mso-level-tab-stop:3.5in;
    2042         mso-level-number-position:left;
    2043         text-indent:-.25in;}
    2044 @list l12:level8
    2045         {mso-level-tab-stop:4.0in;
    2046         mso-level-number-position:left;
    2047         text-indent:-.25in;}
    2048 @list l12:level9
    2049         {mso-level-tab-stop:4.5in;
    2050         mso-level-number-position:left;
    2051         text-indent:-.25in;}
    2052 @list l13
    2053         {mso-list-id:919948450;
    2054         mso-list-template-ids:-445226636;}
    2055 @list l13:level1
    2056         {mso-level-tab-stop:none;
    2057         mso-level-number-position:left;
    2058         text-indent:-.25in;}
    2059 @list l13:level2
    2060         {mso-level-number-format:alpha-lower;
    2061         mso-level-tab-stop:1.0in;
    2062         mso-level-number-position:left;
    2063         text-indent:-.25in;}
    2064 @list l13:level3
    2065         {mso-level-tab-stop:1.5in;
    2066         mso-level-number-position:left;
    2067         text-indent:-.25in;}
    2068 @list l13:level4
    2069         {mso-level-number-format:alpha-lower;
    2070         mso-level-tab-stop:2.0in;
    2071         mso-level-number-position:left;
    2072         text-indent:-.25in;}
    2073 @list l13:level5
    2074         {mso-level-tab-stop:2.5in;
    2075         mso-level-number-position:left;
    2076         text-indent:-.25in;}
    2077 @list l13:level6
    2078         {mso-level-tab-stop:3.0in;
    2079         mso-level-number-position:left;
    2080         text-indent:-.25in;}
    2081 @list l13:level7
    2082         {mso-level-tab-stop:3.5in;
    2083         mso-level-number-position:left;
    2084         text-indent:-.25in;}
    2085 @list l13:level8
    2086         {mso-level-tab-stop:4.0in;
    2087         mso-level-number-position:left;
    2088         text-indent:-.25in;}
    2089 @list l13:level9
    2090         {mso-level-tab-stop:4.5in;
    2091         mso-level-number-position:left;
    2092         text-indent:-.25in;}
    2093 @list l14
    2094         {mso-list-id:1074664733;
    2095         mso-list-type:hybrid;
    2096         mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2097 @list l14:level1
    20981993        {mso-level-number-format:alpha-lower;
    20991994        mso-level-tab-stop:none;
    21001995        mso-level-number-position:left;
    2101         margin-left:1.0in;
    2102         text-indent:-.25in;
    2103         mso-ansi-font-weight:normal;}
    2104 @list l14:level2
     1996        margin-left:3.5in;
     1997        text-indent:-.25in;}
     1998@list l12:level6
     1999        {mso-level-number-format:roman-lower;
     2000        mso-level-tab-stop:none;
     2001        mso-level-number-position:right;
     2002        margin-left:4.0in;
     2003        text-indent:-9.0pt;}
     2004@list l12:level7
     2005        {mso-level-tab-stop:none;
     2006        mso-level-number-position:left;
     2007        margin-left:4.5in;
     2008        text-indent:-.25in;}
     2009@list l12:level8
    21052010        {mso-level-number-format:alpha-lower;
    21062011        mso-level-tab-stop:none;
    21072012        mso-level-number-position:left;
    2108         text-indent:-.25in;}
    2109 @list l14:level3
    2110         {mso-level-tab-stop:1.5in;
    2111         mso-level-number-position:left;
    2112         text-indent:-.25in;}
    2113 @list l14:level4
    2114         {mso-level-tab-stop:2.0in;
    2115         mso-level-number-position:left;
    2116         text-indent:-.25in;}
    2117 @list l14:level5
    2118         {mso-level-tab-stop:2.5in;
    2119         mso-level-number-position:left;
    2120         text-indent:-.25in;}
    2121 @list l14:level6
    2122         {mso-level-tab-stop:3.0in;
    2123         mso-level-number-position:left;
    2124         text-indent:-.25in;}
    2125 @list l14:level7
    2126         {mso-level-tab-stop:3.5in;
    2127         mso-level-number-position:left;
    2128         text-indent:-.25in;}
    2129 @list l14:level8
    2130         {mso-level-tab-stop:4.0in;
    2131         mso-level-number-position:left;
    2132         text-indent:-.25in;}
    2133 @list l14:level9
    2134         {mso-level-tab-stop:4.5in;
    2135         mso-level-number-position:left;
    2136         text-indent:-.25in;}
    2137 @list l15
    2138         {mso-list-id:1114401595;
    2139         mso-list-template-ids:748465434;}
    2140 @list l15:level1
    2141         {mso-level-tab-stop:.5in;
    2142         mso-level-number-position:left;
    2143         text-indent:-.25in;}
    2144 @list l15:level2
    2145         {mso-level-number-format:alpha-upper;
    2146         mso-level-tab-stop:1.0in;
    2147         mso-level-number-position:left;
    2148         text-indent:-.25in;}
    2149 @list l15:level3
    2150         {mso-level-number-format:bullet;
    2151         mso-level-text:;
    2152         mso-level-tab-stop:1.5in;
    2153         mso-level-number-position:left;
    2154         text-indent:-.25in;
    2155         mso-ansi-font-size:10.0pt;
    2156         font-family:Wingdings;}
    2157 @list l15:level4
    2158         {mso-level-tab-stop:2.0in;
    2159         mso-level-number-position:left;
    2160         text-indent:-.25in;}
    2161 @list l15:level5
    2162         {mso-level-tab-stop:2.5in;
    2163         mso-level-number-position:left;
    2164         text-indent:-.25in;}
    2165 @list l15:level6
    2166         {mso-level-tab-stop:3.0in;
    2167         mso-level-number-position:left;
    2168         text-indent:-.25in;}
    2169 @list l15:level7
    2170         {mso-level-tab-stop:3.5in;
    2171         mso-level-number-position:left;
    2172         text-indent:-.25in;}
    2173 @list l15:level8
    2174         {mso-level-tab-stop:4.0in;
    2175         mso-level-number-position:left;
    2176         text-indent:-.25in;}
    2177 @list l15:level9
    2178         {mso-level-tab-stop:4.5in;
    2179         mso-level-number-position:left;
    2180         text-indent:-.25in;}
    2181 @list l16
     2013        margin-left:5.0in;
     2014        text-indent:-.25in;}
     2015@list l12:level9
     2016        {mso-level-number-format:roman-lower;
     2017        mso-level-tab-stop:none;
     2018        mso-level-number-position:right;
     2019        margin-left:5.5in;
     2020        text-indent:-9.0pt;}
     2021@list l13
    21822022        {mso-list-id:1323200535;
    21832023        mso-list-type:hybrid;
    21842024        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2185 @list l16:level1
     2025@list l13:level1
    21862026        {mso-level-number-format:alpha-lower;
    21872027        mso-level-tab-stop:none;
     
    21892029        margin-left:1.0in;
    21902030        text-indent:-.25in;}
     2031@list l13:level2
     2032        {mso-level-tab-stop:1.0in;
     2033        mso-level-number-position:left;
     2034        text-indent:-.25in;}
     2035@list l13:level3
     2036        {mso-level-tab-stop:1.5in;
     2037        mso-level-number-position:left;
     2038        text-indent:-.25in;}
     2039@list l13:level4
     2040        {mso-level-tab-stop:2.0in;
     2041        mso-level-number-position:left;
     2042        text-indent:-.25in;}
     2043@list l13:level5
     2044        {mso-level-tab-stop:2.5in;
     2045        mso-level-number-position:left;
     2046        text-indent:-.25in;}
     2047@list l13:level6
     2048        {mso-level-tab-stop:3.0in;
     2049        mso-level-number-position:left;
     2050        text-indent:-.25in;}
     2051@list l13:level7
     2052        {mso-level-tab-stop:3.5in;
     2053        mso-level-number-position:left;
     2054        text-indent:-.25in;}
     2055@list l13:level8
     2056        {mso-level-tab-stop:4.0in;
     2057        mso-level-number-position:left;
     2058        text-indent:-.25in;}
     2059@list l13:level9
     2060        {mso-level-tab-stop:4.5in;
     2061        mso-level-number-position:left;
     2062        text-indent:-.25in;}
     2063@list l14
     2064        {mso-list-id:1632129029;
     2065        mso-list-template-ids:-445226636;}
     2066@list l14:level1
     2067        {mso-level-tab-stop:none;
     2068        mso-level-number-position:left;
     2069        text-indent:-.25in;}
     2070@list l14:level2
     2071        {mso-level-number-format:alpha-lower;
     2072        mso-level-tab-stop:1.0in;
     2073        mso-level-number-position:left;
     2074        text-indent:-.25in;}
     2075@list l14:level3
     2076        {mso-level-tab-stop:1.5in;
     2077        mso-level-number-position:left;
     2078        text-indent:-.25in;}
     2079@list l14:level4
     2080        {mso-level-number-format:alpha-lower;
     2081        mso-level-tab-stop:2.0in;
     2082        mso-level-number-position:left;
     2083        text-indent:-.25in;}
     2084@list l14:level5
     2085        {mso-level-tab-stop:2.5in;
     2086        mso-level-number-position:left;
     2087        text-indent:-.25in;}
     2088@list l14:level6
     2089        {mso-level-tab-stop:3.0in;
     2090        mso-level-number-position:left;
     2091        text-indent:-.25in;}
     2092@list l14:level7
     2093        {mso-level-tab-stop:3.5in;
     2094        mso-level-number-position:left;
     2095        text-indent:-.25in;}
     2096@list l14:level8
     2097        {mso-level-tab-stop:4.0in;
     2098        mso-level-number-position:left;
     2099        text-indent:-.25in;}
     2100@list l14:level9
     2101        {mso-level-tab-stop:4.5in;
     2102        mso-level-number-position:left;
     2103        text-indent:-.25in;}
     2104@list l15
     2105        {mso-list-id:1634405758;
     2106        mso-list-type:hybrid;
     2107        mso-list-template-ids:343204784 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     2108@list l15:level1
     2109        {mso-level-tab-stop:none;
     2110        mso-level-number-position:left;
     2111        margin-left:63.8pt;
     2112        text-indent:-.25in;}
     2113@list l15:level2
     2114        {mso-level-tab-stop:99.8pt;
     2115        mso-level-number-position:left;
     2116        margin-left:99.8pt;
     2117        text-indent:-.25in;}
     2118@list l15:level3
     2119        {mso-level-tab-stop:135.8pt;
     2120        mso-level-number-position:left;
     2121        margin-left:135.8pt;
     2122        text-indent:-.25in;}
     2123@list l15:level4
     2124        {mso-level-tab-stop:171.8pt;
     2125        mso-level-number-position:left;
     2126        margin-left:171.8pt;
     2127        text-indent:-.25in;}
     2128@list l15:level5
     2129        {mso-level-tab-stop:207.8pt;
     2130        mso-level-number-position:left;
     2131        margin-left:207.8pt;
     2132        text-indent:-.25in;}
     2133@list l15:level6
     2134        {mso-level-tab-stop:243.8pt;
     2135        mso-level-number-position:left;
     2136        margin-left:243.8pt;
     2137        text-indent:-.25in;}
     2138@list l15:level7
     2139        {mso-level-tab-stop:279.8pt;
     2140        mso-level-number-position:left;
     2141        margin-left:279.8pt;
     2142        text-indent:-.25in;}
     2143@list l15:level8
     2144        {mso-level-tab-stop:315.8pt;
     2145        mso-level-number-position:left;
     2146        margin-left:315.8pt;
     2147        text-indent:-.25in;}
     2148@list l15:level9
     2149        {mso-level-tab-stop:351.8pt;
     2150        mso-level-number-position:left;
     2151        margin-left:351.8pt;
     2152        text-indent:-.25in;}
     2153@list l16
     2154        {mso-list-id:1731538183;
     2155        mso-list-template-ids:-445226636;}
     2156@list l16:level1
     2157        {mso-level-tab-stop:none;
     2158        mso-level-number-position:left;
     2159        text-indent:-.25in;}
    21912160@list l16:level2
    2192         {mso-level-tab-stop:1.0in;
     2161        {mso-level-number-format:alpha-lower;
     2162        mso-level-tab-stop:1.0in;
    21932163        mso-level-number-position:left;
    21942164        text-indent:-.25in;}
     
    21982168        text-indent:-.25in;}
    21992169@list l16:level4
    2200         {mso-level-tab-stop:2.0in;
     2170        {mso-level-number-format:alpha-lower;
     2171        mso-level-tab-stop:2.0in;
    22012172        mso-level-number-position:left;
    22022173        text-indent:-.25in;}
     
    22222193        text-indent:-.25in;}
    22232194@list l17
    2224         {mso-list-id:1394309879;
    2225         mso-list-template-ids:326264828;}
     2195        {mso-list-id:1902254926;
     2196        mso-list-template-ids:1270895724;}
    22262197@list l17:level1
     2198        {mso-level-tab-stop:.5in;
     2199        mso-level-number-position:left;
     2200        text-indent:-.25in;}
     2201@list l17:level2
     2202        {mso-level-tab-stop:1.0in;
     2203        mso-level-number-position:left;
     2204        text-indent:-.25in;}
     2205@list l17:level3
     2206        {mso-level-tab-stop:1.5in;
     2207        mso-level-number-position:left;
     2208        text-indent:-.25in;}
     2209@list l17:level4
     2210        {mso-level-tab-stop:2.0in;
     2211        mso-level-number-position:left;
     2212        text-indent:-.25in;}
     2213@list l17:level5
     2214        {mso-level-tab-stop:2.5in;
     2215        mso-level-number-position:left;
     2216        text-indent:-.25in;}
     2217@list l17:level6
     2218        {mso-level-tab-stop:3.0in;
     2219        mso-level-number-position:left;
     2220        text-indent:-.25in;}
     2221@list l17:level7
     2222        {mso-level-tab-stop:3.5in;
     2223        mso-level-number-position:left;
     2224        text-indent:-.25in;}
     2225@list l17:level8
     2226        {mso-level-tab-stop:4.0in;
     2227        mso-level-number-position:left;
     2228        text-indent:-.25in;}
     2229@list l17:level9
     2230        {mso-level-tab-stop:4.5in;
     2231        mso-level-number-position:left;
     2232        text-indent:-.25in;}
     2233@list l18
     2234        {mso-list-id:2114591880;
     2235        mso-list-template-ids:-445226636;}
     2236@list l18:level1
    22272237        {mso-level-tab-stop:none;
    22282238        mso-level-number-position:left;
    22292239        text-indent:-.25in;}
    2230 @list l17:level2
     2240@list l18:level2
    22312241        {mso-level-number-format:alpha-lower;
    22322242        mso-level-tab-stop:1.0in;
    22332243        mso-level-number-position:left;
    2234         text-indent:-.25in;
    2235         mso-ansi-font-size:12.0pt;
    2236         font-family:"Times New Roman",serif;
    2237         mso-ansi-font-weight:normal;
    2238         mso-ansi-font-style:normal;}
    2239 @list l17:level3
     2244        text-indent:-.25in;}
     2245@list l18:level3
    22402246        {mso-level-tab-stop:1.5in;
    22412247        mso-level-number-position:left;
    22422248        text-indent:-.25in;}
    2243 @list l17:level4
     2249@list l18:level4
    22442250        {mso-level-number-format:alpha-lower;
    22452251        mso-level-tab-stop:2.0in;
    22462252        mso-level-number-position:left;
    22472253        text-indent:-.25in;}
    2248 @list l17:level5
     2254@list l18:level5
    22492255        {mso-level-tab-stop:2.5in;
    22502256        mso-level-number-position:left;
    22512257        text-indent:-.25in;}
    2252 @list l17:level6
     2258@list l18:level6
    22532259        {mso-level-tab-stop:3.0in;
    22542260        mso-level-number-position:left;
    22552261        text-indent:-.25in;}
    2256 @list l17:level7
     2262@list l18:level7
    22572263        {mso-level-tab-stop:3.5in;
    22582264        mso-level-number-position:left;
    22592265        text-indent:-.25in;}
    2260 @list l17:level8
     2266@list l18:level8
    22612267        {mso-level-tab-stop:4.0in;
    22622268        mso-level-number-position:left;
    22632269        text-indent:-.25in;}
    2264 @list l17:level9
    2265         {mso-level-tab-stop:4.5in;
    2266         mso-level-number-position:left;
    2267         text-indent:-.25in;}
    2268 @list l18
    2269         {mso-list-id:1413820461;
    2270         mso-list-type:hybrid;
    2271         mso-list-template-ids:2031237610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2272 @list l18:level1
    2273         {mso-level-tab-stop:none;
    2274         mso-level-number-position:left;
    2275         margin-left:.25in;
    2276         text-indent:-.25in;}
    2277 @list l18:level2
    2278         {mso-level-number-format:alpha-lower;
    2279         mso-level-tab-stop:none;
    2280         mso-level-number-position:left;
    2281         margin-left:.75in;
    2282         text-indent:-.25in;}
    2283 @list l18:level3
    2284         {mso-level-number-format:roman-lower;
    2285         mso-level-tab-stop:none;
    2286         mso-level-number-position:right;
    2287         margin-left:1.25in;
    2288         text-indent:-9.0pt;}
    2289 @list l18:level4
    2290         {mso-level-tab-stop:none;
    2291         mso-level-number-position:left;
    2292         margin-left:1.75in;
    2293         text-indent:-.25in;}
    2294 @list l18:level5
    2295         {mso-level-number-format:alpha-lower;
    2296         mso-level-tab-stop:none;
    2297         mso-level-number-position:left;
    2298         margin-left:2.25in;
    2299         text-indent:-.25in;}
    2300 @list l18:level6
    2301         {mso-level-number-format:roman-lower;
    2302         mso-level-tab-stop:none;
    2303         mso-level-number-position:right;
    2304         margin-left:2.75in;
    2305         text-indent:-9.0pt;}
    2306 @list l18:level7
    2307         {mso-level-tab-stop:none;
    2308         mso-level-number-position:left;
    2309         margin-left:3.25in;
    2310         text-indent:-.25in;}
    2311 @list l18:level8
    2312         {mso-level-number-format:alpha-lower;
    2313         mso-level-tab-stop:none;
    2314         mso-level-number-position:left;
    2315         margin-left:3.75in;
    2316         text-indent:-.25in;}
    23172270@list l18:level9
    2318         {mso-level-number-format:roman-lower;
    2319         mso-level-tab-stop:none;
    2320         mso-level-number-position:right;
    2321         margin-left:4.25in;
    2322         text-indent:-9.0pt;}
    2323 @list l19
    2324         {mso-list-id:1580553544;
    2325         mso-list-template-ids:-615735862;}
    2326 @list l19:level1
    2327         {mso-level-tab-stop:.5in;
    2328         mso-level-number-position:left;
    2329         text-indent:-.25in;}
    2330 @list l19:level2
    2331         {mso-level-tab-stop:1.0in;
    2332         mso-level-number-position:left;
    2333         text-indent:-.25in;}
    2334 @list l19:level3
    2335         {mso-level-tab-stop:1.5in;
    2336         mso-level-number-position:left;
    2337         text-indent:-.25in;}
    2338 @list l19:level4
    2339         {mso-level-tab-stop:2.0in;
    2340         mso-level-number-position:left;
    2341         text-indent:-.25in;}
    2342 @list l19:level5
    2343         {mso-level-tab-stop:2.5in;
    2344         mso-level-number-position:left;
    2345         text-indent:-.25in;}
    2346 @list l19:level6
    2347         {mso-level-tab-stop:3.0in;
    2348         mso-level-number-position:left;
    2349         text-indent:-.25in;}
    2350 @list l19:level7
    2351         {mso-level-tab-stop:3.5in;
    2352         mso-level-number-position:left;
    2353         text-indent:-.25in;}
    2354 @list l19:level8
    2355         {mso-level-tab-stop:4.0in;
    2356         mso-level-number-position:left;
    2357         text-indent:-.25in;}
    2358 @list l19:level9
    2359         {mso-level-tab-stop:4.5in;
    2360         mso-level-number-position:left;
    2361         text-indent:-.25in;}
    2362 @list l20
    2363         {mso-list-id:1602683002;
    2364         mso-list-type:hybrid;
    2365         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2366 @list l20:level1
    2367         {mso-level-tab-stop:none;
    2368         mso-level-number-position:left;
    2369         text-indent:-.25in;}
    2370 @list l20:level2
    2371         {mso-level-number-format:alpha-lower;
    2372         mso-level-tab-stop:none;
    2373         mso-level-number-position:left;
    2374         text-indent:-.25in;}
    2375 @list l20:level3
    2376         {mso-level-tab-stop:1.5in;
    2377         mso-level-number-position:left;
    2378         text-indent:-.25in;}
    2379 @list l20:level4
    2380         {mso-level-tab-stop:2.0in;
    2381         mso-level-number-position:left;
    2382         text-indent:-.25in;}
    2383 @list l20:level5
    2384         {mso-level-tab-stop:2.5in;
    2385         mso-level-number-position:left;
    2386         text-indent:-.25in;}
    2387 @list l20:level6
    2388         {mso-level-tab-stop:3.0in;
    2389         mso-level-number-position:left;
    2390         text-indent:-.25in;}
    2391 @list l20:level7
    2392         {mso-level-tab-stop:3.5in;
    2393         mso-level-number-position:left;
    2394         text-indent:-.25in;}
    2395 @list l20:level8
    2396         {mso-level-tab-stop:4.0in;
    2397         mso-level-number-position:left;
    2398         text-indent:-.25in;}
    2399 @list l20:level9
    2400         {mso-level-tab-stop:4.5in;
    2401         mso-level-number-position:left;
    2402         text-indent:-.25in;}
    2403 @list l21
    2404         {mso-list-id:1669404025;
    2405         mso-list-type:hybrid;
    2406         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2407 @list l21:level1
    2408         {mso-level-number-format:alpha-lower;
    2409         mso-level-tab-stop:none;
    2410         mso-level-number-position:left;
    2411         margin-left:1.0in;
    2412         text-indent:-.25in;
    2413         mso-ansi-font-weight:normal;}
    2414 @list l21:level2
    2415         {mso-level-tab-stop:1.0in;
    2416         mso-level-number-position:left;
    2417         text-indent:-.25in;}
    2418 @list l21:level3
    2419         {mso-level-tab-stop:112.5pt;
    2420         mso-level-number-position:left;
    2421         margin-left:112.5pt;
    2422         text-indent:-.25in;}
    2423 @list l21:level4
    2424         {mso-level-tab-stop:2.0in;
    2425         mso-level-number-position:left;
    2426         text-indent:-.25in;}
    2427 @list l21:level5
    2428         {mso-level-tab-stop:2.5in;
    2429         mso-level-number-position:left;
    2430         text-indent:-.25in;}
    2431 @list l21:level6
    2432         {mso-level-tab-stop:3.0in;
    2433         mso-level-number-position:left;
    2434         text-indent:-.25in;}
    2435 @list l21:level7
    2436         {mso-level-tab-stop:3.5in;
    2437         mso-level-number-position:left;
    2438         text-indent:-.25in;}
    2439 @list l21:level8
    2440         {mso-level-tab-stop:4.0in;
    2441         mso-level-number-position:left;
    2442         text-indent:-.25in;}
    2443 @list l21:level9
    2444         {mso-level-tab-stop:4.5in;
    2445         mso-level-number-position:left;
    2446         text-indent:-.25in;}
    2447 @list l22
    2448         {mso-list-id:1734962708;
    2449         mso-list-template-ids:-2097672882;}
    2450 @list l22:level1
    2451         {mso-level-tab-stop:.5in;
    2452         mso-level-number-position:left;
    2453         text-indent:-.25in;}
    2454 @list l22:level2
    2455         {mso-level-number-format:bullet;
    2456         mso-level-text:o;
    2457         mso-level-tab-stop:1.0in;
    2458         mso-level-number-position:left;
    2459         text-indent:-.25in;
    2460         mso-ansi-font-size:10.0pt;
    2461         font-family:"Courier New";
    2462         mso-bidi-font-family:"Times New Roman";}
    2463 @list l22:level3
    2464         {mso-level-tab-stop:1.5in;
    2465         mso-level-number-position:left;
    2466         text-indent:-.25in;}
    2467 @list l22:level4
    2468         {mso-level-tab-stop:2.0in;
    2469         mso-level-number-position:left;
    2470         text-indent:-.25in;}
    2471 @list l22:level5
    2472         {mso-level-tab-stop:2.5in;
    2473         mso-level-number-position:left;
    2474         text-indent:-.25in;}
    2475 @list l22:level6
    2476         {mso-level-tab-stop:3.0in;
    2477         mso-level-number-position:left;
    2478         text-indent:-.25in;}
    2479 @list l22:level7
    2480         {mso-level-tab-stop:3.5in;
    2481         mso-level-number-position:left;
    2482         text-indent:-.25in;}
    2483 @list l22:level8
    2484         {mso-level-tab-stop:4.0in;
    2485         mso-level-number-position:left;
    2486         text-indent:-.25in;}
    2487 @list l22:level9
    2488         {mso-level-tab-stop:4.5in;
    2489         mso-level-number-position:left;
    2490         text-indent:-.25in;}
    2491 @list l23
    2492         {mso-list-id:1753089587;
    2493         mso-list-template-ids:1555050902;}
    2494 @list l23:level1
    2495         {mso-level-tab-stop:none;
    2496         mso-level-number-position:left;
    2497         text-indent:-.25in;}
    2498 @list l23:level2
    2499         {mso-level-tab-stop:1.0in;
    2500         mso-level-number-position:left;
    2501         text-indent:-.25in;}
    2502 @list l23:level3
    2503         {mso-level-tab-stop:1.5in;
    2504         mso-level-number-position:left;
    2505         text-indent:-.25in;}
    2506 @list l23:level4
    2507         {mso-level-tab-stop:2.0in;
    2508         mso-level-number-position:left;
    2509         text-indent:-.25in;}
    2510 @list l23:level5
    2511         {mso-level-tab-stop:2.5in;
    2512         mso-level-number-position:left;
    2513         text-indent:-.25in;}
    2514 @list l23:level6
    2515         {mso-level-tab-stop:3.0in;
    2516         mso-level-number-position:left;
    2517         text-indent:-.25in;}
    2518 @list l23:level7
    2519         {mso-level-tab-stop:3.5in;
    2520         mso-level-number-position:left;
    2521         text-indent:-.25in;}
    2522 @list l23:level8
    2523         {mso-level-tab-stop:4.0in;
    2524         mso-level-number-position:left;
    2525         text-indent:-.25in;}
    2526 @list l23:level9
    2527         {mso-level-tab-stop:4.5in;
    2528         mso-level-number-position:left;
    2529         text-indent:-.25in;}
    2530 @list l24
    2531         {mso-list-id:1773695911;
    2532         mso-list-type:hybrid;
    2533         mso-list-template-ids:-1704541642 595615172 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2534 @list l24:level1
    2535         {mso-level-tab-stop:none;
    2536         mso-level-number-position:left;
    2537         margin-left:.75in;
    2538         text-indent:-.25in;}
    2539 @list l24:level2
    2540         {mso-level-number-format:alpha-lower;
    2541         mso-level-tab-stop:none;
    2542         mso-level-number-position:left;
    2543         margin-left:1.25in;
    2544         text-indent:-.25in;}
    2545 @list l24:level3
    2546         {mso-level-number-format:roman-lower;
    2547         mso-level-tab-stop:none;
    2548         mso-level-number-position:right;
    2549         margin-left:1.75in;
    2550         text-indent:-9.0pt;}
    2551 @list l24:level4
    2552         {mso-level-tab-stop:none;
    2553         mso-level-number-position:left;
    2554         margin-left:2.25in;
    2555         text-indent:-.25in;}
    2556 @list l24:level5
    2557         {mso-level-number-format:alpha-lower;
    2558         mso-level-tab-stop:none;
    2559         mso-level-number-position:left;
    2560         margin-left:2.75in;
    2561         text-indent:-.25in;}
    2562 @list l24:level6
    2563         {mso-level-number-format:roman-lower;
    2564         mso-level-tab-stop:none;
    2565         mso-level-number-position:right;
    2566         margin-left:3.25in;
    2567         text-indent:-9.0pt;}
    2568 @list l24:level7
    2569         {mso-level-tab-stop:none;
    2570         mso-level-number-position:left;
    2571         margin-left:3.75in;
    2572         text-indent:-.25in;}
    2573 @list l24:level8
    2574         {mso-level-number-format:alpha-lower;
    2575         mso-level-tab-stop:none;
    2576         mso-level-number-position:left;
    2577         margin-left:4.25in;
    2578         text-indent:-.25in;}
    2579 @list l24:level9
    2580         {mso-level-number-format:roman-lower;
    2581         mso-level-tab-stop:none;
    2582         mso-level-number-position:right;
    2583         margin-left:4.75in;
    2584         text-indent:-9.0pt;}
    2585 @list l25
    2586         {mso-list-id:1840269000;
    2587         mso-list-type:hybrid;
    2588         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2589 @list l25:level1
    2590         {mso-level-tab-stop:none;
    2591         mso-level-number-position:left;
    2592         text-indent:-.25in;}
    2593 @list l25:level2
    2594         {mso-level-number-format:alpha-lower;
    2595         mso-level-tab-stop:none;
    2596         mso-level-number-position:left;
    2597         text-indent:-.25in;}
    2598 @list l25:level3
    2599         {mso-level-tab-stop:1.5in;
    2600         mso-level-number-position:left;
    2601         text-indent:-.25in;}
    2602 @list l25:level4
    2603         {mso-level-tab-stop:2.0in;
    2604         mso-level-number-position:left;
    2605         text-indent:-.25in;}
    2606 @list l25:level5
    2607         {mso-level-tab-stop:2.5in;
    2608         mso-level-number-position:left;
    2609         text-indent:-.25in;}
    2610 @list l25:level6
    2611         {mso-level-tab-stop:3.0in;
    2612         mso-level-number-position:left;
    2613         text-indent:-.25in;}
    2614 @list l25:level7
    2615         {mso-level-tab-stop:3.5in;
    2616         mso-level-number-position:left;
    2617         text-indent:-.25in;}
    2618 @list l25:level8
    2619         {mso-level-tab-stop:4.0in;
    2620         mso-level-number-position:left;
    2621         text-indent:-.25in;}
    2622 @list l25:level9
    2623         {mso-level-tab-stop:4.5in;
    2624         mso-level-number-position:left;
    2625         text-indent:-.25in;}
    2626 @list l26
    2627         {mso-list-id:1902254926;
    2628         mso-list-template-ids:1270895724;}
    2629 @list l26:level1
    2630         {mso-level-tab-stop:.5in;
    2631         mso-level-number-position:left;
    2632         text-indent:-.25in;}
    2633 @list l26:level2
    2634         {mso-level-tab-stop:1.0in;
    2635         mso-level-number-position:left;
    2636         text-indent:-.25in;}
    2637 @list l26:level3
    2638         {mso-level-tab-stop:1.5in;
    2639         mso-level-number-position:left;
    2640         text-indent:-.25in;}
    2641 @list l26:level4
    2642         {mso-level-tab-stop:2.0in;
    2643         mso-level-number-position:left;
    2644         text-indent:-.25in;}
    2645 @list l26:level5
    2646         {mso-level-tab-stop:2.5in;
    2647         mso-level-number-position:left;
    2648         text-indent:-.25in;}
    2649 @list l26:level6
    2650         {mso-level-tab-stop:3.0in;
    2651         mso-level-number-position:left;
    2652         text-indent:-.25in;}
    2653 @list l26:level7
    2654         {mso-level-tab-stop:3.5in;
    2655         mso-level-number-position:left;
    2656         text-indent:-.25in;}
    2657 @list l26:level8
    2658         {mso-level-tab-stop:4.0in;
    2659         mso-level-number-position:left;
    2660         text-indent:-.25in;}
    2661 @list l26:level9
    2662         {mso-level-tab-stop:4.5in;
    2663         mso-level-number-position:left;
    2664         text-indent:-.25in;}
    2665 @list l27
    2666         {mso-list-id:1949777749;
    2667         mso-list-template-ids:-863108910;}
    2668 @list l27:level1
    2669         {mso-level-tab-stop:.5in;
    2670         mso-level-number-position:left;
    2671         text-indent:-.25in;}
    2672 @list l27:level2
    2673         {mso-level-tab-stop:1.0in;
    2674         mso-level-number-position:left;
    2675         text-indent:-.25in;}
    2676 @list l27:level3
    2677         {mso-level-tab-stop:1.5in;
    2678         mso-level-number-position:left;
    2679         text-indent:-.25in;}
    2680 @list l27:level4
    2681         {mso-level-tab-stop:2.0in;
    2682         mso-level-number-position:left;
    2683         text-indent:-.25in;}
    2684 @list l27:level5
    2685         {mso-level-tab-stop:2.5in;
    2686         mso-level-number-position:left;
    2687         text-indent:-.25in;}
    2688 @list l27:level6
    2689         {mso-level-tab-stop:3.0in;
    2690         mso-level-number-position:left;
    2691         text-indent:-.25in;}
    2692 @list l27:level7
    2693         {mso-level-tab-stop:3.5in;
    2694         mso-level-number-position:left;
    2695         text-indent:-.25in;}
    2696 @list l27:level8
    2697         {mso-level-tab-stop:4.0in;
    2698         mso-level-number-position:left;
    2699         text-indent:-.25in;}
    2700 @list l27:level9
    2701         {mso-level-tab-stop:4.5in;
    2702         mso-level-number-position:left;
    2703         text-indent:-.25in;}
    2704 @list l28
    2705         {mso-list-id:2021002967;
    2706         mso-list-template-ids:449459044;}
    2707 @list l28:level1
    2708         {mso-level-tab-stop:.5in;
    2709         mso-level-number-position:left;
    2710         text-indent:-.25in;}
    2711 @list l28:level2
    2712         {mso-level-tab-stop:1.0in;
    2713         mso-level-number-position:left;
    2714         text-indent:-.25in;}
    2715 @list l28:level3
    2716         {mso-level-tab-stop:1.5in;
    2717         mso-level-number-position:left;
    2718         text-indent:-.25in;}
    2719 @list l28:level4
    2720         {mso-level-tab-stop:2.0in;
    2721         mso-level-number-position:left;
    2722         text-indent:-.25in;}
    2723 @list l28:level5
    2724         {mso-level-tab-stop:2.5in;
    2725         mso-level-number-position:left;
    2726         text-indent:-.25in;}
    2727 @list l28:level6
    2728         {mso-level-tab-stop:3.0in;
    2729         mso-level-number-position:left;
    2730         text-indent:-.25in;}
    2731 @list l28:level7
    2732         {mso-level-tab-stop:3.5in;
    2733         mso-level-number-position:left;
    2734         text-indent:-.25in;}
    2735 @list l28:level8
    2736         {mso-level-tab-stop:4.0in;
    2737         mso-level-number-position:left;
    2738         text-indent:-.25in;}
    2739 @list l28:level9
    2740         {mso-level-tab-stop:4.5in;
    2741         mso-level-number-position:left;
    2742         text-indent:-.25in;}
    2743 @list l29
    2744         {mso-list-id:2095858496;
    2745         mso-list-type:hybrid;
    2746         mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2747 @list l29:level1
    2748         {mso-level-tab-stop:none;
    2749         mso-level-number-position:left;
    2750         text-indent:-.25in;}
    2751 @list l29:level2
    2752         {mso-level-tab-stop:1.0in;
    2753         mso-level-number-position:left;
    2754         text-indent:-.25in;}
    2755 @list l29:level3
    2756         {mso-level-tab-stop:1.5in;
    2757         mso-level-number-position:left;
    2758         text-indent:-.25in;}
    2759 @list l29:level4
    2760         {mso-level-tab-stop:2.0in;
    2761         mso-level-number-position:left;
    2762         text-indent:-.25in;}
    2763 @list l29:level5
    2764         {mso-level-tab-stop:2.5in;
    2765         mso-level-number-position:left;
    2766         text-indent:-.25in;}
    2767 @list l29:level6
    2768         {mso-level-tab-stop:3.0in;
    2769         mso-level-number-position:left;
    2770         text-indent:-.25in;}
    2771 @list l29:level7
    2772         {mso-level-tab-stop:3.5in;
    2773         mso-level-number-position:left;
    2774         text-indent:-.25in;}
    2775 @list l29:level8
    2776         {mso-level-tab-stop:4.0in;
    2777         mso-level-number-position:left;
    2778         text-indent:-.25in;}
    2779 @list l29:level9
    2780         {mso-level-tab-stop:4.5in;
    2781         mso-level-number-position:left;
    2782         text-indent:-.25in;}
    2783 @list l30
    2784         {mso-list-id:2114591880;
    2785         mso-list-template-ids:-445226636;}
    2786 @list l30:level1
    2787         {mso-level-tab-stop:none;
    2788         mso-level-number-position:left;
    2789         text-indent:-.25in;}
    2790 @list l30:level2
    2791         {mso-level-number-format:alpha-lower;
    2792         mso-level-tab-stop:1.0in;
    2793         mso-level-number-position:left;
    2794         text-indent:-.25in;}
    2795 @list l30:level3
    2796         {mso-level-tab-stop:1.5in;
    2797         mso-level-number-position:left;
    2798         text-indent:-.25in;}
    2799 @list l30:level4
    2800         {mso-level-number-format:alpha-lower;
    2801         mso-level-tab-stop:2.0in;
    2802         mso-level-number-position:left;
    2803         text-indent:-.25in;}
    2804 @list l30:level5
    2805         {mso-level-tab-stop:2.5in;
    2806         mso-level-number-position:left;
    2807         text-indent:-.25in;}
    2808 @list l30:level6
    2809         {mso-level-tab-stop:3.0in;
    2810         mso-level-number-position:left;
    2811         text-indent:-.25in;}
    2812 @list l30:level7
    2813         {mso-level-tab-stop:3.5in;
    2814         mso-level-number-position:left;
    2815         text-indent:-.25in;}
    2816 @list l30:level8
    2817         {mso-level-tab-stop:4.0in;
    2818         mso-level-number-position:left;
    2819         text-indent:-.25in;}
    2820 @list l30:level9
    28212271        {mso-level-tab-stop:4.5in;
    28222272        mso-level-number-position:left;
     
    28922342 <v:imagedata src="gsas2logo.png"/>
    28932343 <w:wrap type="square" anchory="line"/>
    2894 </v:shape><![endif]--><![if !vml]><img width=96 height=96 src=gsas2logo.png
     2344</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
    28952345align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
    28962346style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II – Phase Tree
     
    28982348
    28992349<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
    2900 is where to find help on the Phase Tree items in GSAS-II. Note that the window
    2901 displayed for this page has multiple tabs. The help information is broken down
    2902 by tab section. <o:p></o:p></span></p>
     2350is where to find help on the Phase Tree items in GSAS-II. Note that the window displayed
     2351for this page has multiple tabs. The help information is broken down by tab
     2352section. <o:p></o:p></span></p>
    29032353
    29042354<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
    2905 name="Phase"><span style='mso-fareast-font-family:"Times New Roman"'>7. Phase
     2355name=Phase><span style='mso-fareast-font-family:"Times New Roman"'>7. Phase
    29062356data tree items</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
    29072357
    29082358<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
    29092359style='mso-fareast-font-family:"Times New Roman"'>When a phase is selected from
    2910 the <a href="#Data_tree"><span style='color:windowtext;text-decoration:none;
    2911 text-underline:none'>data tree</span></a>, parameters are shown for that
    2912 selected phase in a tabbed window. Clicking on each tab raises the windows
     2360the <a href="gsasII.html#Data_tree">data tree</a>, parameters are shown for
     2361that selected phase in a tabbed window. Clicking on each tab raises the windows
    29132362listed below. Each tab is identified by the underlined phrase in the following:</span><span
    29142363class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     
    29162365
    29172366<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
    2918 name="Phase-General">General Phase Parameters</a></h4>
    2919 
    2920 <span style='mso-bookmark:General'></span>
    2921 
    2922 <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
    2923 style='mso-fareast-font-family:"Times New Roman"'>This gives overall parameters
    2924 describing the phase such as the name, space group, the unit cell parameters
    2925 and overall parameters for the atom present in the phase. It also has the
    2926 controls for Pawley intensity extraction and for computing Fourier maps for
    2927 this phase. It can also be used to compute new structures based on the unit
    2928 cell and atom <span class=SpellE>poistions</span>. <span class=MsoHyperlink><span
     2367name=Phase-General></a><a name="_General_Phase_Parameters"></a><span
     2368style='mso-bookmark:Phase-General'>General Phase Parameters</span></h4>
     2369
     2370<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'><a
     2371name=General></a><span style='mso-fareast-font-family:"Times New Roman"'>This
     2372gives overall parameters describing the phase such as the name, space group,
     2373the unit cell parameters and overall parameters for the atom present in the
     2374phase. It also has the controls for Pawley intensity extraction and for
     2375computing Fourier maps for this phase. It can also be used to compute new
     2376structures based on the unit cell and atom positions. <span class=MsoHyperlink><span
    29292377style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    29302378
     
    29352383
    29362384<p class=MsoListParagraph style='margin-left:1.0in;mso-add-space:auto;
    2937 text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2385text-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
    29382386style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    2939 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2940 dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b
    2941 style='mso-bidi-font-weight:normal'>Compute’</b> – The compute menu shows
    2942 computations that are possible for this phase. </span></p>
     2387style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     2388style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b style='mso-bidi-font-weight:
     2389normal'>Compute’</b> – The compute menu shows computations that are possible
     2390for this phase. </span></p>
    29432391
    29442392<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;text-indent:
    2945 -.25in;mso-list:l2 level2 lfo22;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-.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
    29462394style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    2947 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2948 dir=LTR></span><b><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
    2949 maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     2395style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
     2396style='mso-fareast-font-family:"Times New Roman"'>Fourier maps</span></b><span
     2397style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    29502398
    29512399<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;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
     
    29612409map. Peaks that are above ‘Peak cutoff’ % of the maximum will be found in this
    29622410procedure; they will be printed on the console and will be shown in the ‘<a
    2963 href="Map_peaks">Map peaks</a>’ page. This page will immediately be <span
    2964 class=GramE>shown</span> and the peaks will be shown on the structure drawing
    2965 for this phase as white 3-D crosses.<o:p></o:p></span></p>
     2411href="#Phase-Map_peaks">Map peaks</a>’ page. This page will immediately be shown
     2412and the peaks will be shown on the structure drawing for this phase as white
     24133-D crosses.<o:p></o:p></span></p>
    29662414
    29672415<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;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
     
    29722420style='mso-fareast-font-family:"Times New Roman"'>This performs a charge
    29732421flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure solution
    2974 using the method of <span class=SpellE>Oszlanyi</span> &amp; <span
    2975 class=SpellE>Suto</span> (Acta <span class=SpellE>Cryst</span>. A60, 134-141,
    2976 2004). You will need to select a source for the reflection set and perhaps
    2977 select an element for normalization by its form factor, a resolution limit
    2978 (usually 0.5A) and a charge flip threshold (usually 0.1); these are found at
    2979 the bottom of the <b style='mso-bidi-font-weight:normal'>General</b> window. A
    2980 progress bar showing the charge flip residual is shown while the charge flip is
    2981 in operation. When the residual is no longer decreasing (be patient – it
    2982 doesn’t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
    2983 normal'>Cancel</b> button to stop the charge flipping. The resulting map will
    2984 be positioned to properly place symmetry operators (NB: depends on the quality
    2985 of the resulting phases), searched for peaks and the display shifts to <b
    2986 style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<o:p></o:p></span></p>
     2422using the method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141, 2004). You
     2423will need to select a source for the reflection set and perhaps select an
     2424element for normalization by its form factor, a resolution limit (usually 0.5A)
     2425and a charge flip threshold (usually 0.1); these are found at the bottom of the
     2426<b style='mso-bidi-font-weight:normal'>General</b> window. A progress bar showing
     2427the charge flip residual is shown while the charge flip is in operation. When
     2428the residual is no longer decreasing (be patient – it doesn’t necessarily fall
     2429continuously), press the <b style='mso-bidi-font-weight:normal'>Cancel</b>
     2430button to stop the charge flipping. The resulting map will be positioned to
     2431properly place symmetry operators (NB: depends on the quality of the resulting
     2432phases), searched for peaks and the display shifts to <b style='mso-bidi-font-weight:
     2433normal'>Map peaks</b> to show them.<o:p></o:p></span></p>
    29872434
    29882435<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;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
     
    30022449axes, symmetry or unit cell. It is also used to create a magnetic phase from a
    30032450chemical (nuclear) phase. One important transformation that can be done here is
    3004 for Origin 1 settings to Origin 2 (<a href="#Origin1">described below</a>) <o:p></o:p></span></p>
     2451for Origin 1 settings to Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>)
     2452<o:p></o:p></span></p>
    30052453
    30062454<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
     
    30092457
    30102458<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    3011 text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2459text-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
    30122460class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    30132461color:windowtext;text-decoration:none;text-underline:none'><span
    3014 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3015 </span></span></span></span><![endif]><span dir=LTR></span><span
    3016 style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
    3017 of the General page that can be changed are Phase name, Phase type, Space
    3018 group, unit cell parameters &amp; refine flag. These are described in turn:<span
    3019 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    3020 
    3021 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3022 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2462style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2463</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     2464"Times New Roman"'>The items in the upper part of the General page that can be
     2465changed are Phase name, Phase type, Space group, unit cell parameters &amp;
     2466refine flag. These are described in turn:<span class=MsoHyperlink><span
     2467style='color:windowtext'><o:p></o:p></span></span></span></p>
     2468
     2469<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2470auto;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
    30232471class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    30242472color:windowtext;text-decoration:none;text-underline:none'><span
    3025 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3026 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3027 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
     2473style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2474</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2475style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
    30282476style='mso-fareast-font-family:"Times New Roman"'> – this is the name assigned
    30292477to this phase. It should only be changed when the phase is initialized or
     
    30312479
    30322480<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3033 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2481auto;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
    30342482class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    30352483color:windowtext;text-decoration:none;text-underline:none'><span
    3036 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3037 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3038 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase type – </span></b><span
    3039 style='mso-fareast-font-family:"Times New Roman"'>this can only be set when there
    3040 are no atoms in the Atoms page for this phase. Select it when the phase is
    3041 initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    3042 
    3043 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3044 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2484style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2485</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2486style='mso-fareast-font-family:"Times New Roman"'>Phase type – </span></b><span
     2487style='mso-fareast-font-family:"Times New Roman"'>this can only be set when
     2488there are no atoms in the Atoms page for this phase. Select it when the phase
     2489is initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     2490
     2491<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2492auto;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
    30452493class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    30462494color:windowtext;text-decoration:none;text-underline:none'><span
    3047 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3048 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3049 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
     2495style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2496</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2497style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
    30502498style='mso-fareast-font-family:"Times New Roman"'> – this should be set when
    30512499the phase is initialized; it can be changed later. Be careful about the impact
    30522500on Atom site symmetry and multiplicity if you do. GSAS-II will recognize any
    3053 legal space group symbol using the short Hermann-<span class=SpellE>Mauguin</span>
    3054 forms; put a space between the axial fields (<span class=GramE>e.g.</span> ‘F d
    3055 3 m’ not ‘Fd3m’). For space groups with a choice of origin (<span class=GramE>e.g.</span>
    3056 F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where the center of
    3057 inversion is located at the origin. The choice of space group will set the
    3058 available unit cell parameters.<span class=MsoHyperlink><span style='color:
    3059 windowtext'><o:p></o:p></span></span></span></p>
    3060 
    3061 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3062 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2501legal space group symbol using the short Hermann-Mauguin forms; put a space
     2502between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’). For space groups with a
     2503choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting
     2504where the center of inversion is located at the origin. The choice of space
     2505group will set the available unit cell parameters.<span class=MsoHyperlink><span
     2506style='color:windowtext'><o:p></o:p></span></span></span></p>
     2507
     2508<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2509auto;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
    30632510style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    3064 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3065 dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3066 "Times New Roman"'>Refine unit cell</span></b><span style='mso-fareast-font-family:
    3067 "Times New Roman"'> – set this flag to refine the unit cell parameters in a
    3068 Rietveld or Pawley refinement. The actual parameters refined are the symmetry
    3069 allowed terms (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i
    3070 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
    3071 mso-fareast-font-family:"Times New Roman"'><br>
     2511style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     2512style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
     2513unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
     2514set this flag to refine the unit cell parameters in a Rietveld or Pawley
     2515refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
     2516in the expression</span><i style='mso-bidi-font-style:normal'><span
     2517style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman"'><br>
    30722518</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
    30732519    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    31552601  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
    31562602  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
    3157 style='font-size:12.0pt;font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    3158 minor-latin;mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
    3159 minor-fareast;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Arial;
    3160 mso-bidi-theme-font:minor-bidi;mso-ansi-language:EN-US;mso-fareast-language:
    3161 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    3162  type="#_x0000_t75" style='width:252pt;height:14pt'>
    3163  <v:imagedata src="gsasII-phase_files/image055.emz" o:title="" chromakey="white"/>
    3164 </v:shape><![endif]--><![if !vml]><img width=252 height=14
    3165 src="gsasII-phase_files/image056.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    3166 
    3167 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3168 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2603style='font-size:11.0pt;line-height:107%;font-family:"Calibri",sans-serif;
     2604mso-ascii-theme-font:minor-latin;mso-fareast-font-family:"Times New Roman";
     2605mso-fareast-theme-font:minor-fareast;mso-hansi-theme-font:minor-latin;
     2606mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
     2607mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     2608 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
     2609 <v:imagedata src="gsasII-phase_files/image001.png" o:title="" chromakey="white"/>
     2610</v:shape><![endif]--><![if !vml]><img width=335 height=19
     2611src="gsasII-phase_files/image002.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     2612
     2613<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2614auto;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
    31692615class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    31702616color:windowtext;text-decoration:none;text-underline:none'><span
    3171 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3172 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3173 normal'><span style='mso-fareast-font-family:"Times New Roman"'>a, b, c, alpha,
    3174 beta, gamma</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3175 – lattice parameters; only those permitted by the space group are shown. The <span
    3176 class=GramE>volume<span style='mso-spacerun:yes'>  </span>is</span> computed
    3177 from the values entered.</span><span class=MsoHyperlink><span style='color:
    3178 windowtext'><o:p></o:p></span></span></p>
     2617style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2618</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2619style='mso-fareast-font-family:"Times New Roman"'>a, b, c, alpha, beta, gamma</span></b><span
     2620style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; only
     2621those permitted by the space group are shown. The volume<span
     2622style='mso-spacerun:yes'>  </span>is computed from the values entered.</span><span
     2623class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></p>
    31792624
    31802625<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3181 auto;text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2626auto;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
    31822627class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    31832628color:windowtext;text-decoration:none;text-underline:none'><span
    3184 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3185 </span></span></span></span><![endif]><span dir=LTR></span><span
    3186 style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
    3187 Atoms <span class=GramE>page</span> then the Elements table is shown next on
    3188 the General page; you may select the isotope (only relevant for neutron
    3189 diffraction experiments). The density (just above the Elements) is computed
    3190 depending on this choice, the unit cell volume and the atom fractions/site
    3191 multiplicities in the entries on the Atoms page.<span class=MsoHyperlink><span
    3192 style='color:windowtext'><o:p></o:p></span></span></span></p>
     2629style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2630</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     2631"Times New Roman"'>If there are entries in the Atoms page then the Elements
     2632table is shown next on the General page; you may select the isotope (only
     2633relevant for neutron diffraction experiments). The density (just above the
     2634Elements) is computed depending on this choice, the unit cell volume and the
     2635atom fractions/site multiplicities in the entries on the Atoms page.<span
     2636class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    31932637
    31942638<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3195 auto;text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2639auto;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
    31962640class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    31972641color:windowtext;text-decoration:none;text-underline:none'><span
    3198 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3199 </span></span></span></span><![endif]><span dir=LTR></span><span
    3200 style='mso-fareast-font-family:"Times New Roman"'>Next are the Pawley controls.<span
    3201 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    3202 
    3203 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3204 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2642style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2643</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     2644"Times New Roman"'>Next are the Pawley controls.<span class=MsoHyperlink><span
     2645style='color:windowtext'><o:p></o:p></span></span></span></p>
     2646
     2647<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2648auto;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
    32052649class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32062650color:windowtext;text-decoration:none;text-underline:none'><span
    3207 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3208 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3209 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Do Pawley
    3210 refinement?</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3211 – This must be chosen to perform a Pawley refinement as opposed to a Rietveld
    3212 refinement for this phase. <b style='mso-bidi-font-weight:normal'>NB:</b> you
    3213 probably should clear the <b style='mso-bidi-font-weight:normal'>Histogram
    3214 scale factor</b> refinement flag (found in <b style='mso-bidi-font-weight:normal'>Sample
    3215 parameters</b> for the powder data set) as it cannot be refined simultaneously
    3216 with the Pawley reflection intensities.<span class=MsoHyperlink><span
    3217 style='color:windowtext'><o:p></o:p></span></span></span></p>
    3218 
    3219 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3220 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2651style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2652</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2653style='mso-fareast-font-family:"Times New Roman"'>Do Pawley refinement?</span></b><span
     2654style='mso-fareast-font-family:"Times New Roman"'> – This must be chosen to
     2655perform a Pawley refinement as opposed to a Rietveld refinement for this phase.
     2656<b style='mso-bidi-font-weight:normal'>NB:</b> you probably should clear the <b
     2657style='mso-bidi-font-weight:normal'>Histogram scale factor</b> refinement flag
     2658(found in <b style='mso-bidi-font-weight:normal'>Sample parameters</b> for the
     2659powder data set) as it cannot be refined simultaneously with the Pawley
     2660reflection intensities.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     2661
     2662<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2663auto;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
    32212664class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32222665color:windowtext;text-decoration:none;text-underline:none'><span
    3223 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3224 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3225 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley <span
    3226 class=SpellE>dmin</span></span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3227 – This is the minimum d-spacing to be used in a Pawley refinement. <b
    3228 style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this to match the
    3229 minimum d-spacing indicated by the powder pattern limits (see <b
    3230 style='mso-bidi-font-weight:normal'>Limits</b> for the powder data set).<span
    3231 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    3232 
    3233 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3234 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2666style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2667</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2668style='mso-fareast-font-family:"Times New Roman"'>Pawley dmin</span></b><span
     2669style='mso-fareast-font-family:"Times New Roman"'> – This is the minimum
     2670d-spacing to be used in a Pawley refinement. <b style='mso-bidi-font-weight:
     2671normal'>NB:</b> be sure to set this to match the minimum d-spacing indicated by
     2672the powder pattern limits (see <b style='mso-bidi-font-weight:normal'>Limits</b>
     2673for the powder data set).<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     2674
     2675<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2676auto;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
    32352677class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32362678color:windowtext;text-decoration:none;text-underline:none'><span
    3237 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3238 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3239 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
     2679style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2680</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2681style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
    32402682style='mso-fareast-font-family:"Times New Roman"'> – This is the weight for a
    32412683penalty function applied during a Pawley refinement on resulting negative
    3242 intensities. Use with caution; initially try very small values (<span
    3243 class=GramE>e.g.</span> .01). A value of zero means no penalty is applied.<span
     2684intensities. Use with caution; initially try very small values (e.g. .01). A
     2685value of zero means no penalty is applied.<span class=MsoHyperlink><span
     2686style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     2687
     2688<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     2689auto;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
     2690class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     2691color:windowtext;text-decoration:none;text-underline:none'><span
     2692style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2693</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     2694"Times New Roman"'>Fourier map controls are shown next on the General page. A
     2695completed Rietveld or Pawley refinement is required before a Fourier map can be
     2696computed. Select the desired type of map, the source of the reflection set and
     2697the map resolution desired. The peak cutoff is defined as a percentage of the
     2698maximum and defines the lowest level considered in the peak search.<span
     2699class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     2700
     2701<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     2702auto;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
     2703class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     2704color:windowtext;text-decoration:none;text-underline:none'><span
     2705style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2706</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     2707"Times New Roman"'>Charge flip controls are below the Fourier map controls.<span
    32442708class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    32452709text-underline:none'><o:p></o:p></span></span></span></p>
    32462710
    3247 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3248 auto;text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2711<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2712auto;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
    32492713class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32502714color:windowtext;text-decoration:none;text-underline:none'><span
    3251 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3252 </span></span></span></span><![endif]><span dir=LTR></span><span
    3253 style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
    3254 shown next on the General page. A completed Rietveld or Pawley refinement is
    3255 required before a Fourier map can be computed. Select the desired type of map,
    3256 the source of the reflection set and the map resolution desired. The peak
    3257 cutoff is defined as a percentage of the maximum and defines the lowest level
    3258 considered in the peak search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    3259 
    3260 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3261 auto;text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2715style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2716</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2717style='mso-fareast-font-family:"Times New Roman"'>Reflection set from</span></b><span
     2718style='mso-fareast-font-family:"Times New Roman"'> – This is the source of
     2719structure factors to be used in a charge flip calculation. These may be either
     2720a single crystal data set, or structure factors extracted from a powder pattern
     2721via a Pawley refinement or a Rietveld refinement.<span class=MsoHyperlink><span
     2722style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     2723
     2724<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2725auto;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
    32622726class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32632727color:windowtext;text-decoration:none;text-underline:none'><span
    3264 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3265 </span></span></span></span><![endif]><span dir=LTR></span><span
    3266 style='mso-fareast-font-family:"Times New Roman"'>Charge flip controls are
    3267 below the Fourier map controls.<span class=MsoHyperlink><span style='color:
    3268 windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3269 
    3270 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3271 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2728style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2729</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2730style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
     2731style='mso-fareast-font-family:"Times New Roman"'>– This is an element form
     2732factor chosen to normalize the structure factors before charge flipping. <b
     2733style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
     2734the lower right of the Periodic Table display shown when this is selected.<span
     2735class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     2736text-underline:none'><o:p></o:p></span></span></span></p>
     2737
     2738<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2739auto;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
    32722740class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    32732741color:windowtext;text-decoration:none;text-underline:none'><span
    3274 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3275 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3276 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection set
    3277 from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – This
    3278 is the source of structure factors to be used in a charge flip calculation.
    3279 These may be either a single crystal data set, or structure factors extracted
    3280 from a powder pattern via a Pawley refinement or a Rietveld refinement.<span
    3281 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3282 text-underline:none'><o:p></o:p></span></span></span></p>
    3283 
    3284 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3285 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
    3286 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3287 color:windowtext;text-decoration:none;text-underline:none'><span
    3288 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3289 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3290 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Normalizing
    3291 element </span></b><span style='mso-fareast-font-family:"Times New Roman"'>–
    3292 This is an element form factor chosen to normalize the structure factors before
    3293 charge flipping. <b style='mso-bidi-font-weight:normal'>None</b> (the default)
    3294 can be selected from the lower right of the Periodic Table display shown when
    3295 this is selected.<span class=MsoHyperlink><span style='color:windowtext;
    3296 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3297 
    3298 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3299 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
    3300 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3301 color:windowtext;text-decoration:none;text-underline:none'><span
    3302 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3303 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3304 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Resolution </span></b><span
     2742style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2743</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2744style='mso-fareast-font-family:"Times New Roman"'>Resolution </span></b><span
    33052745style='mso-fareast-font-family:"Times New Roman"'>– This is the resolution of
    33062746the charge flip map; default is 0.5A. The set of reflections is expanded to a
     
    33102750
    33112751<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3312 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2752auto;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
    33132753style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    3314 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3315 dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3316 "Times New Roman"'>k-Factor</span></b><span style='mso-fareast-font-family:
    3317 "Times New Roman"'> – This is the threshold on the density map, all densities
    3318 below this are charge flipped.</span></p>
    3319 
    3320 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3321 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2754style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     2755style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>k-Factor</span></b><span
     2756style='mso-fareast-font-family:"Times New Roman"'> – This is the threshold on
     2757the density map, all densities below this are charge flipped.</span></p>
     2758
     2759<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2760auto;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
    33222761style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    3323 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3324 dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3325 "Times New Roman"'>k-Max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3326 – This is an upper threshold on the density may; all densities above this are
    3327 charge flipped. In this way the “uranium solution” problem is avoided. Use
    3328 k-Max = 10-12 for equal atom problems and larger for heavy atom ones.<o:p></o:p></span></p>
     2762style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     2763style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>k-Max</span></b><span
     2764style='mso-fareast-font-family:"Times New Roman"'> – This is an upper threshold
     2765on the density may; all densities above this are charge flipped. In this way
     2766the “uranium solution” problem is avoided. Use k-Max = 10-12 for equal atom
     2767problems and larger for heavy atom ones.<o:p></o:p></span></p>
    33292768
    33302769<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3331 auto;text-indent:-.25in;mso-list:l2 level1 lfo22;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
     2770auto;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
    33322771style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    3333 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3334 dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>Monte
    3335 Carlo/Simulated Annealing controls are at the bottom of the window. (Future
    3336 capability &amp; under development).<o:p></o:p></span></p>
    3337 
    3338 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3339 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2772style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     2773style='mso-fareast-font-family:"Times New Roman"'>Monte Carlo/Simulated
     2774Annealing controls are at the bottom of the window. (Future capability &amp;
     2775under development).<o:p></o:p></span></p>
     2776
     2777<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2778auto;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
    33402779style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    3341 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3342 dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3343 "Times New Roman"'>Reflection set from</span></b><span style='mso-fareast-font-family:
    3344 "Times New Roman"'> – This is the source of structure factors to be used in a
    3345 charge flip calculation. These may be either a single crystal data set, or
    3346 structure factors extracted from a powder pattern via a Pawley refinement or a
    3347 Rietveld refinement.<o:p></o:p></span></p>
    3348 
    3349 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3350 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2780style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     2781style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
     2782set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
     2783This is the source of structure factors to be used in a charge flip
     2784calculation. These may be either a single crystal data set, or structure
     2785factors extracted from a powder pattern via a Pawley refinement or a Rietveld
     2786refinement.<o:p></o:p></span></p>
     2787
     2788<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     2789auto;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
    33512790class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    33522791color:windowtext;text-decoration:none;text-underline:none'><span
    3353 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3354 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3355 normal'><span style='mso-fareast-font-family:"Times New Roman"'>d-min </span></b><span
     2792style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2793</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     2794style='mso-fareast-font-family:"Times New Roman"'>d-min </span></b><span
    33562795style='mso-fareast-font-family:"Times New Roman"'>- This restricts the set of
    33572796reflections to be used in the MC/SA run.</span><span class=MsoHyperlink><span
     
    33592798
    33602799<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3361 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2800auto;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
    33622801style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    3363 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3364 dir=LTR></span><span class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
     2802style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     2803class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
    33652804style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    33662805none;text-underline:none'>MC/SA algorithm</span></b></span><span
     
    33702809
    33712810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3372 auto;text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2811auto;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
    33732812class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    33742813color:windowtext;text-decoration:none;text-underline:none'><span
    3375 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3376 </span></span></span></span><![endif]><span dir=LTR></span><span
    3377 class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
    3378 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    3379 none;text-underline:none'>Annealing schedule</span></b></span><span
     2814style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2815</span></span></span></span><![endif]><span class=MsoHyperlink><b
     2816style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman";
     2817color:windowtext;text-decoration:none;text-underline:none'>Annealing schedule</span></b></span><span
    33802818class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3381 color:windowtext;text-decoration:none;text-underline:none'> – This selects the beginning
    3382 MC/SA “temperature”, final “temperature”, slope and number of trials at each
    3383 step.<o:p></o:p></span></span></p>
     2819color:windowtext;text-decoration:none;text-underline:none'> – This selects the
     2820beginning MC/SA “temperature”, final “temperature”, slope and number of trials
     2821at each step.<o:p></o:p></span></span></p>
    33842822
    33852823<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    3386 text-indent:-.25in;mso-list:l2 level2 lfo22;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
     2824text-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
    33872825class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    33882826color:windowtext;text-decoration:none;text-underline:none'><span
    3389 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3390 </span></span></span></span><![endif]><span dir=LTR></span><span
    3391 class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
    3392 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    3393 none;text-underline:none'>A-jump &amp; B-jump</span></b></span><span
     2827style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     2828</span></span></span></span><![endif]><span class=MsoHyperlink><b
     2829style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman";
     2830color:windowtext;text-decoration:none;text-underline:none'>A-jump &amp; B-jump</span></b></span><span
    33942831class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3395 color:windowtext;text-decoration:none;text-underline:none'> – If the “<span
    3396 class=SpellE>Tremayne</span>” algorithm is chosen these determine the jump
    3397 components for each trial.<o:p></o:p></span></span></p>
     2832color:windowtext;text-decoration:none;text-underline:none'> – If the “Tremayne”
     2833algorithm is chosen these determine the jump components for each trial.<o:p></o:p></span></span></p>
    33982834
    33992835<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
    3400 name="Origin1"></a>Origin 1 -&gt; Origin 2 Transformations</h5>
     2836name=Origin1></a><a name="_Origin_1_-&gt;"></a>Origin 1 -&gt; Origin 2
     2837Transformations</h5>
    34012838
    34022839<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
     
    34082845point in the structure does not contain a center of symmetry. Origin 1 places
    34092846the origin at the highest symmetry setting while Origin 2 places the origin at
    3410 a center of symmetry (creating a -<span class=GramE>x,-</span>y,-z symmetry
    3411 operator, which means that reflection phases can only be 0 or π.) GSAS-II
    3412 requires use of the Origin 2 settings because computations are much faster and
    3413 simpler without complex structure factors. Alas, the literature contains <span
    3414 class=GramE>a number of</span> structures reported in Origin 1, where the origin
    3415 choice may not be clearly communicated. (The CIF standard does not require that
    3416 origin choice be indicated.) When a structure is imported that uses any of the
    3417 space groups where an origin choice is possible, a message is shown in GSAS-II
    3418 notifying the user that they must confirm that the origin choice is correct. <o:p></o:p></span></p>
     2847a center of symmetry (creating a -x,-y,-z symmetry operator, which means that
     2848reflection phases can only be 0 or π.) GSAS-II requires use of the Origin 2
     2849settings because computations are much faster and simpler without complex
     2850structure factors. Alas, the literature contains a number of structures
     2851reported in Origin 1, where the origin choice may not be clearly communicated.
     2852(The CIF standard does not require that origin choice be indicated.) When a
     2853structure is imported that uses any of the space groups where an origin choice
     2854is possible, a message is shown in GSAS-II notifying the user that they must
     2855confirm that the origin choice is correct. <o:p></o:p></span></p>
    34192856
    34202857<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
     
    34442881 <tr style='mso-yfti-irow:2'>
    34452882  <td style='padding:.75pt .75pt .75pt .75pt'>
    3446   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3447   "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     2883  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
    34482884  </td>
    34492885  <td style='padding:.75pt .75pt .75pt .75pt'>
     
    34982934 <tr style='mso-yfti-irow:2'>
    34992935  <td style='padding:.75pt .75pt .75pt .75pt'>
    3500   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3501   "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     2936  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
    35022937  </td>
    35032938  <td style='padding:.75pt .75pt .75pt .75pt'>
     
    35292964<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
    35302965style='mso-fareast-font-family:"Times New Roman";color:white;mso-color-alt:
    3531 windowtext'>where the origin is shifted by (0,0.</span><span class=GramE><span
    3532 style='mso-fareast-font-family:"Times New Roman"'>25,-</span></span><span
    3533 style='mso-fareast-font-family:"Times New Roman"'>0.125). <o:p></o:p></span></p>
     2966windowtext'>where the origin is shifted by (0,0.25,-0.125). </span><span
     2967style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    35342968
    35352969<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
     
    35452979 <v:imagedata src="gsasII_files/wrong.png"/>
    35462980 <w:wrap type="square" anchory="line"/>
    3547 </v:shape><![endif]--><![if !vml]><img width=241 height=143
     2981</v:shape><![endif]--><![if !vml]><img width=322 height=190
    35482982src="gsasII_files/wrong.png" align=right v:shapes="Picture_x0020_3"><![endif]><span
    3549 style='mso-fareast-font-family:"Times New Roman"'>Since GSAS-II always the symmetry
    3550 operators for Origin 2, if structure is input incorrectly with the coordinates
    3551 set for Origin 1, there are several <span class=GramE>fairly obvious</span>
    3552 signs of problems: (1) the site symmetries and multiplicities are wrong, often
    3553 giving an incorrect chemical formula, (2) the interatomic distances are
    3554 incorrect, and (3) a plot of the structure is improbable. In this case
    3555 incorrect multiplicities gives rise to a density of 7.9 g/cc, double the
    3556 correct value. Impossible interatomic distances of 1.88Å for <span
    3557 class=SpellE><span class=GramE>Ti-Ti</span></span>, and 1.39Å for <span
    3558 class=SpellE>Ti</span>-O are seen. The unit cell contents with the wrong space
    3559 group operators <span class=GramE>is</span> shown to the right. <o:p></o:p></span></p>
     2983style='mso-fareast-font-family:"Times New Roman"'>Since GSAS-II always the
     2984symmetry operators for Origin 2, if structure is input incorrectly with the
     2985coordinates set for Origin 1, there are several fairly obvious signs of
     2986problems: (1) the site symmetries and multiplicities are wrong, often giving an
     2987incorrect chemical formula, (2) the interatomic distances are incorrect, and
     2988(3) a plot of the structure is improbable. In this case incorrect
     2989multiplicities gives rise to a density of 7.9 g/cc, double the correct value.
     2990Impossible interatomic distances of 1.88Å for Ti-Ti, and 1.39Å for Ti-O are
     2991seen. The unit cell contents with the wrong space group operators is shown to
     2992the right. <o:p></o:p></span></p>
    35602993
    35612994<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
    35622995style='mso-fareast-font-family:"Times New Roman"'>With coordinates that match
    3563 the space group operations, the correct <span class=SpellE>Ti</span>-O
    3564 distances are 1.92Å and 1.97Å and the shortest <span class=SpellE>Ti-Ti</span>
    3565 distance is 3.0Å. (Note that interatomic distances can be computed in GSAS-II
    3566 using the Phase Atoms tab and the Compute/&quot;Show Distances &amp;
    3567 Angles&quot; menu item.) <o:p></o:p></span></p>
     2996the space group operations, the correct Ti-O distances are 1.92Å and 1.97Å and
     2997the shortest Ti-Ti distance is 3.0Å. (Note that interatomic distances can be
     2998computed in GSAS-II using the Phase Atoms tab and the Compute/&quot;Show
     2999Distances &amp; Angles&quot; menu item.) <o:p></o:p></span></p>
    35683000
    35693001<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
     
    35793011 <v:imagedata src="gsasII_files/xform.png"/>
    35803012 <w:wrap type="square" anchory="line"/>
    3581 </v:shape><![endif]--><![if !vml]><img width=273 height=340
     3013</v:shape><![endif]--><![if !vml]><img width=364 height=453
    35823014src="gsasII_files/xform.png" align=right v:shapes="Picture_x0020_4"><![endif]><b><span
    35833015style='mso-fareast-font-family:"Times New Roman"'>Transform Origin:</span></b><span
    35843016style='mso-fareast-font-family:"Times New Roman"'> To transform a space group
    3585 setting from Origin setting 1 to 2, use the Transform option in the Compute menu
    3586 and then select the last option in the &quot;Common transformations&quot;
     3017setting from Origin setting 1 to 2, use the Transform option in the Compute
     3018menu and then select the last option in the &quot;Common transformations&quot;
    35873019pulldown menu, which will be setting 1-&gt;2 for space groups where both
    35883020origins are available, as shown to the right. The transformation matrix will be
     
    35963028
    35973029<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
    3598 name="Phase-Data"></a><u>Data</u></h4>
     3030name=Phase-Data></a><a name="_Data"></a><u>Data</u></h4>
    35993031
    36003032<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
    3601 tab serves several purposes. It is used to link histograms to the selected <span
    3602 class=GramE>phase</span> and it allows the values and refinement flags to be
    3603 set for the parameters that are defined for each histogram-phase pair, labeled
    3604 as HAP parameters. [Note that some GSAS-II parameters are defined for each
    3605 phase (atomic positions, for example), other parameters are defined for each
    3606 histogram (scale factors and instrumental constants, for example) but the HAP
    3607 parameters have values for each histogram in each phase.] It can also be used
    3608 to show a graphical representation of an HAP parameter set.</p>
     3033tab serves several purposes. It is used to link histograms to the selected
     3034phase and it allows the values and refinement flags to be set for the
     3035parameters that are defined for each histogram-phase pair, labeled as HAP
     3036parameters. [Note that some GSAS-II parameters are defined for each phase
     3037(atomic positions, for example), other parameters are defined for each histogram
     3038(scale factors and instrumental constants, for example) but the HAP parameters
     3039have values for each histogram in each phase.] It can also be used to show a
     3040graphical representation of an HAP parameter set.</p>
    36093041
    36103042<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
    36113043HAP parameters include: the phase fraction; the sample contribution to peak
    3612 broadening: <span class=SpellE>microstrain</span> and crystallite size; a <span
    3613 class=SpellE>LeBail</span> intensity extraction flag; hydrostatic/elastic
    3614 strain shifts to lattice parameters; corrections to peak intensities due to
    3615 experimental effects (preferred orientation, extinction and disordered
    3616 solvents).</p>
     3044broadening: microstrain and crystallite size; a LeBail intensity extraction
     3045flag; hydrostatic/elastic strain shifts to lattice parameters; corrections to
     3046peak intensities due to experimental effects (preferred orientation, extinction
     3047and disordered solvents).</p>
     3048
     3049<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
     3050single crystal data, the only parameters are scale, extinction and disordered
     3051solvent. There is no Sample Parameters histogram scale factor.</p>
    36173052
    36183053<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
     
    36283063
    36293064<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
     3065style='mso-fareast-font-family:"Times New Roman"'>LeBail extraction </span></b><span
     3066style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     3067
     3068<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
     3069style='mso-fareast-font-family:"Times New Roman"'>When this is selected,
     3070intensities are set to values that are best-fit using the LeBail intensity
     3071determination method rather than are computed from the atomic information for
     3072the phase. Cycling this setting will reset LeBail extracted intensities to
     3073their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
     3074
     3075<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
    36303076style='mso-fareast-font-family:"Times New Roman"'>Phase fraction</span></b><span
    36313077style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     
    36353081multiplier that determines the relative amount of the selected phase to a
    36363082histogram. Note that when the histogram scale factor is varied, these values
    3637 are on a relative scale. Conventional practice it to vary the scale factor and
     3083are on a relative scale. Conventional practice is to vary the scale factor and
    36383084to not vary the phase fraction for one phase in a histogram. Do not refine the
    36393085scale factor and all phase fractions unless a constraint is defined so the
    36403086phase fractions add to 1. <o:p></o:p></span></p>
     3087
     3088<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
     3089style='mso-fareast-font-family:"Times New Roman"'>Scale factor<o:p></o:p></span></b></p>
     3090
     3091<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
     3092style='mso-fareast-font-family:"Times New Roman"'>used for single crystal data:
     3093relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
    36413094
    36423095<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
     
    36493102unity. Sizes can be computed in three ways: isotropic, uniaxial and
    36503103ellipsoidal. In isotropic broadening, crystallites are assumed to average as
    3651 uniform in all directions and a single size value is supplied; with uniaxial broadening,
    3652 a preferred direction (as a crystallographic axis, such as 0,0,1 is supplied)
    3653 -- note that for most crystal systems only one axis makes sense -- and two size
    3654 parameters are defined, one for along the axis and one for in the perpendicular
    3655 plane; with ellipsoidal, six terms are used to define a broadening tensor that
    3656 has arbitrary orientation -- this model may require constraints and is seldomly
    3657 needed. Note that size broadening is usually Lorentzian, which corresponds to a
    3658 <span class=SpellE>LGmix</span> value of 1.0; if this value is between 0. and
    3659 1., both Gaussian and Lorentz size broadening is modeled and a value of 0.0 is
    3660 pure Gaussian. Values less than 0. or greater than 1. make no physical sense. <o:p></o:p></span></p>
    3661 
    3662 <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
    3663 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>Microstrain</span></b></span><b><span
    3664 style='mso-fareast-font-family:"Times New Roman"'> peak broadening </span></b><span
     3104uniform in all directions and a single size value is supplied; with uniaxial
     3105broadening, a preferred direction (as a crystallographic axis, such as 0,0,1 is
     3106supplied) -- note that for most crystal systems only one axis makes sense --
     3107and two size parameters are defined, one for along the axis and one for in the
     3108perpendicular plane; with ellipsoidal, six terms are used to define a
     3109broadening tensor that has arbitrary orientation -- this model may require
     3110constraints and is seldomly needed. Note that size broadening is usually
     3111Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
     31120. and 1., both Gaussian and Lorentz size broadening is modeled and a value of
     31130.0 is pure Gaussian. Values less than 0. or greater than 1. make no physical
     3114sense. <o:p></o:p></span></p>
     3115
     3116<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
     3117style='mso-fareast-font-family:"Times New Roman"'>Microstrain peak broadening </span></b><span
    36653118style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    36663119
    36673120<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
    36683121style='mso-fareast-font-family:"Times New Roman"'>is computed as unitless
    3669 fraction of delta d-space/d-space (or equivalently delta-Q/Q) times 10<sup>6</sup>.
    3670 <span class=SpellE>Microstrain</span> can be computed in three ways: isotropic,
    3671 uniaxial and generalized. In isotropic broadening, <span class=SpellE>microstrain</span>
    3672 broadening assumed to be the same in all crystallographic directions and a
    3673 single value is supplied; with uniaxial broadening, a preferred direction (as a
    3674 crystallographic axis, such as 0,0,1) is supplied -- note that for most crystal
    3675 systems only one axis makes sense -- and two <span class=SpellE>microstrain</span>
    3676 parameters are defined, one for along the axis and one for in the perpendicular
    3677 plane; with generalized, the Peter Stephens second-order expansion model is
    3678 used and the number of terms will depend on the crystal system. It is typically
    3679 possible to refine all terms when significant anisotropic strain broadening is
    3680 present. Note that <span class=SpellE>microstrain</span> broadening is usually
    3681 Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
    3682 1.0; if this value is between 0. and 1., both Gaussian and Lorentz broadening
    3683 is modeled and a value of 0.0 is pure Gaussian. Values less than 0. or greater
    3684 than 1. make no physical sense. <o:p></o:p></span></p>
    3685 
    3686 <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
    3687 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>LeBail</span></b></span><b><span
    3688 style='mso-fareast-font-family:"Times New Roman"'> intensity extraction </span></b><span
    3689 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    3690 
    3691 <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
    3692 style='mso-fareast-font-family:"Times New Roman"'>When this is selected,
    3693 intensities are set to values that are <span class=GramE>best-fit</span> using
    3694 the <span class=SpellE>LeBail</span> intensity determination method rather than
    3695 are computed from the atomic information for the phase. <o:p></o:p></span></p>
     3122fraction of Δd/d (or equivalently ΔQ/Q) times 10<sup>6</sup>. Microstrain can
     3123be computed in three ways: isotropic, uniaxial and generalized. In isotropic
     3124broadening, microstrain broadening assumed to be the same in all
     3125crystallographic directions and a single value is supplied; with uniaxial
     3126broadening, a preferred direction (as a crystallographic axis, such as 0,0,1)
     3127is supplied -- note that for most crystal systems only one axis makes sense --
     3128and two microstrain parameters are defined, one for along the axis and one for
     3129in the perpendicular plane; with generalized, the Nicole Popa/Peter Stephens
     3130second-order expansion model is used and the number of terms will depend on the
     3131crystal system. It is typically possible to refine all terms when significant
     3132anisotropic strain broadening is present. Note that microstrain broadening is
     3133usually Lorentzian, which corresponds to a LGmix value of 1.0; if this value is
     3134between 0. and 1., both Gaussian and Lorentz broadening is modeled and a value
     3135of 0.0 is pure Gaussian. Values less than 0. or greater than 1. make no
     3136physical sense. <o:p></o:p></span></p>
    36963137
    36973138<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
     
    37013142<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
    37023143style='mso-fareast-font-family:"Times New Roman"'>shifts the lattice constants
    3703 for the contribution of a phase into a histogram (powder diffraction only). The
    3704 values are added to the <a
     3144for the contribution of a phase into a histogram. The values are added to the <a
    37053145href="http://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#gsasiilattice-unit-cells">reciprocal
    37063146lattice parameter tensor terms</a>. They must be refined in sequential
     
    37113151
    37123152<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'><a
    3713 name="Phase-Preferred_orientation"><b><span style='mso-fareast-font-family:"Times New Roman"'>Preferred
    3714 orientation</span></b></a><span style='mso-bookmark:Preferred_orientation'></span><span
     3153name="Phase-Preferred_orientation"><b><span style='mso-fareast-font-family:
     3154"Times New Roman"'>Preferred orientation</span></b></a><span style='mso-bookmark:
     3155Phase-Preferred_orientation'></span><a name="Preferred_orientation"></a><span
    37153156style='mso-fareast-font-family:"Times New Roman"'> <o:p></o:p></span></p>
    37163157
     
    37203161model is possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
    37213162tab (which usually requires multiple histograms at different sample or detector
    3722 settings). The approaches available here are March-<span class=SpellE>Dollase</span>,
    3723 which requires a definition of a unique axis (in crystallographic coordinates)
    3724 and the relative amount of excess or depletion of crystallites in that
    3725 direction; or Spherical Harmonics, where the selection of an order determines
    3726 the shape of the probability surface (which is always constrained to match the
    3727 symmetry of the crystal system). <o:p></o:p></span></p>
     3163settings). The approaches available here are March-Dollase, which requires a
     3164definition of a unique axis (in crystallographic coordinates) and the relative
     3165amount of excess or depletion of crystallites in that direction; or Spherical
     3166Harmonics, where the selection of an order determines the shape of the
     3167probability surface (which is always constrained to match the symmetry of the
     3168crystal system). <o:p></o:p></span></p>
    37283169
    37293170<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
     
    37323173
    37333174<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
    3734 style='mso-fareast-font-family:"Times New Roman"'>can occur when
    3735 crystals/crystallites have minimal mosaic character, which results in lowering
    3736 of diffraction intensities for the most intense reflections. This is not
    3737 commonly seen in powder diffraction. <o:p></o:p></span></p>
     3175style='mso-fareast-font-family:"Times New Roman"'>can occur when crystals/crystallites
     3176have minimal mosaic character, which results in lowering of diffraction
     3177intensities for the most intense reflections. This is not commonly seen in CW powder
     3178diffraction, but can be more apparent in neutron TOF data. For single crystal
     3179data the extinction model is more complex allowing for primary and two types of
     3180secondary extinction.<o:p></o:p></span></p>
    37383181
    37393182<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
    3740 style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent</span></b><span
    3741 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     3183style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – Babinet A
     3184&amp; B</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    37423185
    37433186<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
    3744 style='mso-fareast-font-family:"Times New Roman"'>This correction, using the <span
    3745 class=SpellE>Babinet</span> model, is typically used to treat scattering from
    3746 water that is not well-ordered in protein structures. It probably makes no
    3747 sense in any other application. <o:p></o:p></span></p>
     3187style='mso-fareast-font-family:"Times New Roman"'>This correction, using the
     3188Babinet model, is typically used to treat scattering from solvent that is not
     3189well-ordered in protein structures. It probably makes no sense in most any
     3190other application. <o:p></o:p></span></p>
     3191
     3192<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
     3193style='mso-fareast-font-family:"Times New Roman"'>Merohedral twins<o:p></o:p></span></b></p>
     3194
     3195<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
     3196style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data;
     3197gives twin law transformation matrix and fraction for each twin member. These
     3198are for merohedral twins where the observed structure factors are a composite
     3199of contributions from each twin. Twin fractions are automatically constrained
     3200to sum to unity.<o:p></o:p></span></p>
    37483201
    37493202<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'><span
     
    37513204
    37523205<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3753 margin-left:.5in;text-indent:-.25in;mso-list:l26 level1 lfo23;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
     3206margin-left:.5in;text-indent:-.25in;mso-list:l17 level1 lfo4;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
    37543207style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    3755 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3756 dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>In this
    3757 tab, menu items allow copying values or refinement flags to histograms/phases
    3758 and selection of which histograms are used in the current phase. <o:p></o:p></span></p>
     3208style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     3209style='mso-fareast-font-family:"Times New Roman"'>In this tab, menu items allow
     3210copying values or refinement flags to histograms/phases and selection of which
     3211histograms are used in the current phase. <o:p></o:p></span></p>
    37593212
    37603213<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3761 margin-left:.5in;text-indent:-.25in;mso-list:l26 level1 lfo23;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
     3214margin-left:.5in;text-indent:-.25in;mso-list:l17 level1 lfo4;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
    37623215style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    3763 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3764 dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>The plot
    3765 selection items allow for three dimensional representations of the <span
    3766 class=SpellE>microstrain</span> or crystallite size distributions (which are
    3767 spheres for isotropic treatments); preferred orientation can be plotted as a
    3768 Psi scan (a plot of relative crystallite abundance for a particular reflection
    3769 as a function of azimuthal angle) or as an inverse pole figure (which shows in
    3770 a stereographic projection the probability distribution for different
    3771 reciprocal lattice directions for a particular sample orientation). <o:p></o:p></span></p>
     3216style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     3217style='mso-fareast-font-family:"Times New Roman"'>The plot selection items
     3218allow for three dimensional representations of the microstrain or crystallite
     3219size distributions (which are spheres for isotropic treatments); preferred
     3220orientation can be plotted as a Psi scan (a plot of relative crystallite
     3221abundance for a particular reflection as a function of azimuthal angle) or as
     3222an inverse pole figure (which shows in a stereographic projection the
     3223probability distribution for different reciprocal lattice directions for a
     3224particular sample orientation). <o:p></o:p></span></p>
    37723225
    37733226<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
    3774 name="Phase-Atoms"></a><u>Atoms</u><span class=MsoHyperlink><span style='font-size:
    3775 12.0pt;font-family:"Times New Roman",serif;color:#4F4FFF;font-style:normal;
    3776 text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
     3227name=Phase-Atoms></a><a name="_Atoms"></a><u>Atoms</u><span class=MsoHyperlink><span
     3228style='font-size:12.0pt;font-family:"Times New Roman",serif;color:#4F4FFF;
     3229font-style:normal;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    37773230
    37783231<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
    3779 is the table of parameters for the atoms in this crystal structure model. The
    3780 menu controls allow manipulation of the values, refinement flags as well as
    3781 initiate calculations of geometrical values (distances &amp; angles) among the
    3782 atoms.</p>
     3232is the table of parameters for the atoms in this crystal structure model. The menu
     3233controls allow manipulation of the values, refinement flags as well as initiate
     3234calculations of geometrical values (distances &amp; angles) among the atoms.</p>
    37833235
    37843236<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'><span
     
    37883240
    37893241<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    3790 text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3242text-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
    37913243style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    3792 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3793 dir=LTR></span>1. Atom selection from table - These are controlled by the mouse
    3794 and the Shift/Ctrl/Alt keys. Note that for most purposes (one exception is atom
    3795 reordering which requires an Alt-Left-click on the rows), selection of any cell
    3796 for an atom will work equivalently with selection of the entire row:</p>
    3797 
    3798 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3799 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3244style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>1.
     3245Atom selection from table - These are controlled by the mouse and the Shift/Ctrl/Alt
     3246keys. Note that for most purposes (one exception is atom reordering which
     3247requires an Alt-Left-click on the rows), selection of any cell for an atom will
     3248work equivalently with selection of the entire row. Upon selection the atoms
     3249will turn green in the structure drawing:</p>
     3250
     3251<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3252auto;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
    38003253class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38013254color:windowtext;text-decoration:none;text-underline:none'><span
    3802 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3803 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3804 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Left Mouse
    3805 Button (LMB)</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3806 – on a row number selects the atom.<span class=MsoHyperlink><span
    3807 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3808 
    3809 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3810 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3255style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3256</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3257style='mso-fareast-font-family:"Times New Roman"'>Left Mouse Button (LMB)</span></b><span
     3258style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
     3259the atom.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     3260none;text-underline:none'><o:p></o:p></span></span></span></p>
     3261
     3262<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3263auto;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
    38113264class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38123265color:windowtext;text-decoration:none;text-underline:none'><span
    3813 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3814 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3815 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
     3266style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3267</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3268style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
    38163269style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
    38173270all atoms from last selection to the selected row (or top is none previously
     
    38203273
    38213274<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3822 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3275auto;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
    38233276class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38243277color:windowtext;text-decoration:none;text-underline:none'><span
    3825 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3826 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3827 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
    3828 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects/deselects
    3829 the atom.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
    3830 none;text-underline:none'><o:p></o:p></span></span></span></p>
    3831 
    3832 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3833 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3278style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3279</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3280style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
     3281style='mso-fareast-font-family:"Times New Roman"'> – on a row number
     3282selects/deselects the atom.<span class=MsoHyperlink><span style='color:windowtext;
     3283text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3284
     3285<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3286auto;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
    38343287class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38353288color:windowtext;text-decoration:none;text-underline:none'><span
    3836 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3837 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3838 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
     3289style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3290</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3291style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
    38393292style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
    38403293that atom for moving; the status line at bottom of window will show name of
    3841 atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to select
    3842 a target row for this atom; insertion will be before this row and the table
    3843 will be updated to show the change. NB: <span class=GramE>the</span> <b
    3844 style='mso-bidi-font-weight:normal'>Draw Atoms</b> list is not updated by this
    3845 change.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
    3846 none;text-underline:none'><o:p></o:p></span></span></span></p>
     3294atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
     3295select a target row for this atom; insertion will be before this row and the
     3296table will be updated to show the change. NB: the <b style='mso-bidi-font-weight:
     3297normal'>Draw Atoms</b> list is not updated by this change.<span
     3298class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3299text-underline:none'><o:p></o:p></span></span></span></p>
    38473300
    38483301<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3849 auto;text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3302auto;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
    38503303class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38513304color:windowtext;text-decoration:none;text-underline:none'><span
    3852 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3853 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3854 normal'>Double left click a Type column heading</b>: a dialog box is shown that
    3855 allows you to select all atoms with that type. <span class=MsoHyperlink><span
     3305style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3306</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
     3307left click a Type column heading</b>: a dialog box is shown that allows you to
     3308select all atoms with that type. <span class=MsoHyperlink><span
    38563309style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    38573310none;text-underline:none'><o:p></o:p></span></span></p>
    38583311
    38593312<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3860 auto;text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3313auto;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
    38613314class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38623315color:windowtext;text-decoration:none;text-underline:none'><span
    3863 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3864 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3865 normal'>Double click a refine or I/A column heading</b><span style='mso-fareast-font-family:
     3316style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3317</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
     3318click a refine or I/A column heading</b><span style='mso-fareast-font-family:
    38663319"Times New Roman"'>: a dialog box will be shown with choices to be applied to
    38673320every atom in the list.<span class=MsoHyperlink><span style='color:windowtext;
     
    38693322
    38703323<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3871 auto;text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3324auto;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
    38723325class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38733326color:windowtext;text-decoration:none;text-underline:none'><span
    3874 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3875 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3876 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Atom data item
    3877 editing tools</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3878 – These are controlled by the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b>
    3879 ignored, <b style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b
    3880 style='mso-bidi-font-weight:normal'>Ctrl</b> allow selection of multiple <span
    3881 class=GramE>cells</span> but no use is made of them). An individual data item
    3882 can be cut/pasted anywhere including from/to another document. Bad entries are
    3883 rejected. If any entry is changed, press <b style='mso-bidi-font-weight:normal'>Enter</b>
    3884 key or select another atom entry to apply the change.<span class=MsoHyperlink><span
    3885 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    3886 
    3887 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3888 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3327style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3328</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3329style='mso-fareast-font-family:"Times New Roman"'>Atom data item editing tools</span></b><span
     3330style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by
     3331the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
     3332style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
     3333normal'>Ctrl</b> allow selection of multiple cells but no use is made of them).
     3334An individual data item can be cut/pasted anywhere including from/to another
     3335document. Bad entries are rejected. If any entry is changed, press <b
     3336style='mso-bidi-font-weight:normal'>Enter</b> key or select another atom entry
     3337to apply the change.<span class=MsoHyperlink><span style='color:windowtext;
     3338text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3339
     3340<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3341auto;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
    38893342class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38903343color:windowtext;text-decoration:none;text-underline:none'><span
    3891 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3892 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3893 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
     3344style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3345</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3346style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
    38943347style='mso-fareast-font-family:"Times New Roman"'> – can change to any text
    38953348string. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     
    38973350
    38983351<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3899 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3352auto;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
    39003353class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39013354color:windowtext;text-decoration:none;text-underline:none'><span
    3902 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3903 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3904 normal'><span style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
    3905 style='mso-fareast-font-family:"Times New Roman"'> – causes a popup display of
    3906 the Periodic Table of the elements; select the element/valence desired; the
    3907 atom will be renamed as well.<span class=MsoHyperlink><span style='color:windowtext;
     3355style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3356</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3357style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
     3358style='mso-fareast-font-family:"Times New Roman"'> – causes a popup display of the
     3359Periodic Table of the elements; select the element/valence desired; the atom
     3360will be renamed as well.<span class=MsoHyperlink><span style='color:windowtext;
    39083361text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    39093362
    39103363<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3911 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3364auto;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
    39123365class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39133366color:windowtext;text-decoration:none;text-underline:none'><span
    3914 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3915 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3916 normal'><span style='mso-fareast-font-family:"Times New Roman"'>refine</span></b><span
    3917 style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of allowed
    3918 refinement flag choices to be shown; select one (top entry is blank for no
    3919 refinement).<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
    3920 none;text-underline:none'><o:p></o:p></span></span></span></p>
    3921 
    3922 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3923 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3367style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3368</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3369style='mso-fareast-font-family:"Times New Roman"'>refine</span></b><span
     3370style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of
     3371allowed refinement flag choices to be shown; select one (top entry is blank for
     3372no refinement).<span class=MsoHyperlink><span style='color:windowtext;
     3373text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3374
     3375<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3376auto;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
    39243377class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39253378color:windowtext;text-decoration:none;text-underline:none'><span
    3926 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3927 </span></span></span></span><![endif]><span dir=LTR></span><span class=SpellE><span
    3928 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3929 "Times New Roman"'>x,y</span></b></span><b style='mso-bidi-font-weight:normal'><span
    3930 style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
     3379style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3380</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3381style='mso-fareast-font-family:"Times New Roman"'>x,y,z</span></b><span
    39313382style='mso-fareast-font-family:"Times New Roman"'> – change atom coordinate.
    3932 Fractions (<span class=GramE>e.g.</span> 1/3, 1/4) are allowed.<span
    3933 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3934 text-underline:none'><o:p></o:p></span></span></span></p>
    3935 
    3936 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3937 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3383Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
     3384style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3385
     3386<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3387auto;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
    39383388class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39393389color:windowtext;text-decoration:none;text-underline:none'><span
    3940 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
    3941 </span></span></span></span><![endif]><span dir=LTR></span><span class=SpellE><span
    3942 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
    3943 "Times New Roman"'>frac,Uiso</span></b></span><b style='mso-bidi-font-weight:
    3944 normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
    3945 style='mso-fareast-font-family:"Times New Roman"'> – change these values;
    3946 numeric entry only.<span class=MsoHyperlink><span style='color:windowtext;
     3390style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3391</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3392style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso,Uij</span></b><span
     3393style='mso-fareast-font-family:"Times New Roman"'> – change these values; fractions
     3394(e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span style='color:windowtext;
    39473395text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    39483396
    39493397<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3950 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3398auto;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
    39513399class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39523400color:windowtext;text-decoration:none;text-underline:none'><span
    3953 style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3954 </span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
    3955 normal'><span style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
     3401style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3402</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3403style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
    39563404style='mso-fareast-font-family:"Times New Roman"'> – select one of <b
    3957 style='mso-bidi-font-weight:normal'>I</b>(<span class=SpellE>sotropic</span>) or
    3958 <b style='mso-bidi-font-weight:normal'>A</b>(<span class=SpellE>nisotropic</span>);
    3959 the <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span><b
    3960 style='mso-bidi-font-weight:normal'>/<span class=SpellE>Uij</span></b> entries
    3961 will change appropriately. <span class=MsoHyperlink><span style='color:windowtext;
    3962 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     3405style='mso-bidi-font-weight:normal'>I</b>(sotropic) or <b style='mso-bidi-font-weight:
     3406normal'>A</b>(nisotropic); the <b style='mso-bidi-font-weight:normal'>Uiso/Uij</b>
     3407entries will change appropriately. <span class=MsoHyperlink><span
     3408style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    39633409
    39643410<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3965 auto;text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3411auto;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
    39663412style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    3967 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3968 dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The
    3969 edit menu shows operations that can be performed on your selected atoms. You
    3970 must select one or more atoms before using many of the menu items.</p>
    3971 
    3972 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3973 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3413style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     3414‘<b style='mso-bidi-font-weight:normal'>Edit Atoms’ - </b>The edit menu shows
     3415operations that can be performed on your selected atoms. You must select one or
     3416more atoms before using many of the menu items.</p>
     3417
     3418<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3419auto;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
    39743420style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    3975 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3976 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Append atom</b> – add an
    3977 H atom (name= <span class=SpellE>Unk</span>) at 0,0,0 to the end of the atom
    3978 table, it is also drawn as an H atom in the structure plot.</p>
    3979 
    3980 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3981 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3421style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>On
     3422selected atoms …</b> - </p>
     3423
     3424<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3425auto;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
     3426style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
     3427style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3428style='mso-bidi-font-weight:normal'>Refine selected </b>– A popup dialog box
     3429appears; select refinement flags to apply to all selected atoms.<o:p></o:p></p>
     3430
     3431<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3432auto;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
     3433style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
     3434style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3435style='mso-bidi-font-weight:normal'>Modify parameters</b> – A popup dialog box
     3436appears with a list of atom parameter names; select one to apply to all selected
     3437atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename selected
     3438atoms according to position in table (e.g. Na(1) for Na atom as 1<sup>st</sup>
     3439atom in list in row ‘0’). <b style='mso-bidi-font-weight:normal'>Type</b> will
     3440give periodic table popup; selected element valence will be used for all
     3441selected atoms and atoms names will be changed. <b style='mso-bidi-font-weight:
     3442normal'>I/A</b> will give popup with choices to be used for all selected atoms.
     3443<b style='mso-bidi-font-weight:normal'>x,y,z</b> will give popup for shift to
     3444be applied to the parameter for all selected atoms. <b style='mso-bidi-font-weight:
     3445normal'>Uiso</b> and <b style='mso-bidi-font-weight:normal'>frac</b> will give
     3446popup for new value to be used for all selected atoms. </p>
     3447
     3448<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3449auto;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
     3450style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
     3451style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b>Set
     3452viewpoint</b> – Set the viewpoint to be position of 1st selected atom<o:p></o:p></p>
     3453
     3454<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3455auto;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
     3456style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
     3457style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3458style='mso-bidi-font-weight:normal'>Move atom to viewpoint </b>– Move a single
     3459atom to viewpoint in plot.<o:p></o:p></p>
     3460
     3461<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3462auto;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
     3463style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
     3464style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3465style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name=
     3466Unk) at 0,0,0 before the selected atom, it is also drawn as an H atom in the
     3467structure plot.</p>
     3468
     3469<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3470auto;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
     3471style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
     3472style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3473style='mso-bidi-font-weight:normal'>Insert viewpoint</b> – insert an H atom
     3474(name= Unk) before the selected atom with coordinates matching the location of
     3475the viewpoint, it is also drawn as an H atom in the structure plot.<o:p></o:p></p>
     3476
     3477<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3478auto;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
     3479style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
     3480style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3481style='mso-bidi-font-weight:normal'>Calc H atoms </b>– insert H-atoms in
     3482standard positions based on bonding patterns about selected atoms.<o:p></o:p></p>
     3483
     3484<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3485auto;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
     3486style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
     3487style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3488style='mso-bidi-font-weight:normal'>Delete atom</b> – selected atoms will be
     3489deleted from the atom list; they should also vanish from the structure drawing.<o:p></o:p></p>
     3490
     3491<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3492auto;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
     3493style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
     3494style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3495style='mso-bidi-font-weight:normal'>Transform atoms</b> – A popup dialog box
     3496appears; select space group operator/unit cell translation to apply to the
     3497selected atoms. You can optionally force the result to be within the unit cell
     3498and optionally generate a new set of atom positions. You may also invert a
     3499noncentrosymmetric structure. NB: many of these operations only make sense if
     3500all atoms are selected.</p>
     3501
     3502<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3503auto;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
     3504style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
     3505style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3506style='mso-bidi-font-weight:normal'>Select all </b>– Selects all atoms for further
     3507changes. Atoms in drawing will turn green.</p>
     3508
     3509<p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
     3510auto;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
     3511style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
     3512style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
     3513style='mso-bidi-font-weight:normal'>Select from list </b>– A popup appears
     3514allowing selection of atoms for further changes. Selected atoms will turn
     3515green.</p>
     3516
     3517<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3518auto;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
    39823519style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    3983 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3984 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Append <span class=GramE>view
    3985 point</span></b> – add an H atom (name= <span class=SpellE>Unk</span>) to the
    3986 end of the atom table with coordinates matching the location of the view point,
    3987 it is drawn as an H atom in the structure plot</p>
    3988 
    3989 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3990 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3520style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3521style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= Unk)
     3522at 0,0,0 to the end of the atom table, it is also drawn as an H atom in the
     3523structure plot.</p>
     3524
     3525<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3526auto;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
    39913527style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    3992 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3993 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Insert atom</b> – insert
    3994 an H atom (name= <span class=SpellE>Unk</span>) at 0,0,0 before the selected
    3995 atom, it is also drawn as an H atom in the structure plot.</p>
    3996 
    3997 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    3998 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3528style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3529style='mso-bidi-font-weight:normal'>Append viewpoint</b> – add an H atom (name=
     3530Unk) to the end of the atom table with coordinates matching the location of the
     3531viewpoint, it is drawn as an H atom in the structure plot.</p>
     3532
     3533<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3534auto;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
    39993535style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    4000 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4001 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Insert <span class=GramE>view
    4002 point</span></b> – insert an H atom (name= <span class=SpellE>Unk</span>)
    4003 before the selected atom with coordinates matching the location of the view
    4004 point, it is also drawn as an H atom in the structure plot.</p>
    4005 
    4006 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4007 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3536style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3537style='mso-bidi-font-weight:normal'>Update H atoms </b>– </p>
     3538
     3539<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3540auto;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
    40083541style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    4009 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4010 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Delete atom</b> –
    4011 selected atoms will be deleted from the atom <span class=GramE>list,</span>
    4012 they should also vanish from the structure drawing.</p>
    4013 
    4014 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4015 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3542style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Assemble
     3543molecule</b> – move atoms to create single molecule; not appropriate for extended
     3544structures.</p>
     3545
     3546<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3547auto;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
    40163548style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    4017 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4018 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Set atom refinement flags</b>
    4019 – A popup dialog box appears; select refinement flags to apply to all selected
    4020 atoms.</p>
    4021 
    4022 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4023 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
     3549style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3550</span></span></span><![endif]><b>Collect atoms</b> – move atoms to be closest
     3551to selected position</p>
     3552
     3553<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3554auto;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
    40243555style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    4025 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4026 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Modify atom parameters</b>
    4027 – A popup dialog box appears with a list of atom parameter names; select one to
    4028 apply to all atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename
    4029 selected atoms according to position in table (e.g. <span class=GramE>Na(</span>1)
    4030 for Na atom as 1<sup>st</sup> atom in list in row ‘0’). <b style='mso-bidi-font-weight:
    4031 normal'>Type</b> will give periodic table popup; selected element valence will
    4032 be used for all selected atoms and atoms names will be changed. <b
    4033 style='mso-bidi-font-weight:normal'>I/A</b> will give popup with choices to be
    4034 used for all selected atoms. <span class=SpellE><span class=GramE><b
    4035 style='mso-bidi-font-weight:normal'>x,y</b></span><b style='mso-bidi-font-weight:
    4036 normal'>,z</b></span> will give popup for shift to be applied to the parameter
    4037 for all selected atoms. <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span>
    4038 and <b style='mso-bidi-font-weight:normal'>frac</b> will give popup for new
    4039 value to be used for all selected atoms. </p>
    4040 
    4041 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4042 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
    4043 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    4044 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4045 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Transform atoms</b> – A
    4046 popup dialog box appears; select space group operator/unit cell translation to
    4047 apply to the selected atoms. You can optionally force the result to be within
    4048 the unit cell and optionally generate a new set of atom positions.</p>
    4049 
    4050 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4051 auto;text-indent:-.25in;mso-list:l5 level2 lfo24;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
    4052 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    4053 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4054 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Reload draw atoms</b> – </p>
     3556style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3557style='mso-bidi-font-weight:normal'>Reload draw atoms</b> – reload drawing
     3558atoms from current atom list.</p>
    40553559
    40563560<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4057 auto;text-indent:-.25in;mso-list:l5 level1 lfo24;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
     3561auto;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
    40583562style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    4059 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4060 dir=LTR></span>Menu<b style='mso-bidi-font-weight:normal'> ‘Compute’ – </b></p>
     3563style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu<b
     3564style='mso-bidi-font-weight:normal'> ‘Compute’ – </b></p>
     3565
     3566<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3567auto;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
     3568style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
     3569style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3570style='mso-bidi-font-weight:normal'>Show Distances &amp; Angles – </b>compute
     3571distances and angles with esds (if possible) for selected atoms. A popup dialog
     3572box will appear with distance angle controls. NB: if atoms have been added or
     3573their type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
     3574of this dialog box before proceeding.</p>
     3575
     3576<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3577auto;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
     3578style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
     3579style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3580style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as
     3581a. but reports result to a file with extension “.disagl”.</p>
     3582
     3583<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3584auto;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
     3585style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
     3586style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Histogram
     3587bonds and angles</b> – forms histograms of bond lengths &amp; angles about
     3588selected atoms.</p>
     3589
     3590<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3591auto;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
     3592style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
     3593style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Apportion
     3594atom frac</b> – after selection of a 2<sup>nd</sup> element; this determines
     3595from atomic number and neutron scattering length the atom fractions of each
     3596type for selected atoms and presents results on the console.</p>
     3597
     3598<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3599auto;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
     3600style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
     3601style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Density
     3602</b>– calculate density</p>
    40613603
    40623604<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    4063 text-indent:-.25in;mso-list:l5 level2 lfo24;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
    4064 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    4065 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4066 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Distances &amp; Angles – </b>compute
    4067 distances and angles with <span class=SpellE>esds</span> (if possible) for
    4068 selected atoms. A popup dialog box will appear with distance angle controls.
    4069 NB: if atoms have been added or their type changed, you may need to do a <b
    4070 style='mso-bidi-font-weight:normal'>Reset</b> of this dialog box before
    4071 proceeding.</p>
     3605text-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
     3606style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
     3607style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3608</span></span></span><![endif]><b>ISODISTORT mode values</b> - </p>
    40723609
    40733610<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'><span
     
    40813618
    40823619<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
    4083 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4084 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4085 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Left</b></span></span><b><span
    4086 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4087 style='mso-fareast-font-family:"Times New Roman"'>: Holding down left button
     3620style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3621"Times New Roman"'><BL>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3622style='mso-spacerun:yes'>  </span><b>Left drag</b>: Holding down left button
    40883623rotates axes around screen x &amp; y <o:p></o:p></span></p>
    40893624
    40903625<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
    4091 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4092 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4093 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Right</b></span></span><b><span
    4094 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4095 style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button
    4096 translates the fractional coordinates assigned to the view point (which is kept
    4097 at the center of the plot). The structure will appear to translate. The <span
    4098 class=GramE>view point</span> can also be entered directly in the Draw Options.
    4099 <o:p></o:p></span></p>
     3626style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3627"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3628style='mso-spacerun:yes'>  </span><b>Right drag</b>: Holding down right button
     3629translates the fractional coordinates assigned to the viewpoint (which is kept
     3630at the center of the plot). The structure will appear to translate. The viewpoint
     3631can also be entered directly in the Draw Options. <o:p></o:p></span></p>
    41003632
    41013633<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
    4102 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4103 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4104 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Middle</b></span></span><b><span
    4105 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4106 style='mso-fareast-font-family:"Times New Roman"'>: Holding down center button
    4107 rotates axes around screen z (direction perpendicular to screen). <o:p></o:p></span></p>
     3634style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3635"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3636style='mso-spacerun:yes'>  </span><b>Middle drag</b>: Holding down center
     3637button rotates axes around screen z (direction perpendicular to screen). <o:p></o:p></span></p>
    41083638
    41093639<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
    4110 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4111 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4112 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Wheel</b></span></span><span
    4113 style='mso-fareast-font-family:"Times New Roman"'>: Rotating the scroll wheel:
    4114 changes “camera position” (zoom in/out) <o:p></o:p></span></p>
     3640style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3641"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3642style='mso-spacerun:yes'>  </span><b>Wheel</b>: Rotating the scroll wheel:
     3643changes “camera distance” (zoom in/out) <o:p></o:p></span></p>
    41153644
    41163645<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
    4117 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4118 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4119 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Shift</b></span></span></span><span
    4120 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Left</span></b></span><b><span
    4121 style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
    4122 style='mso-fareast-font-family:"Times New Roman"'>: Holding down the shift key
    4123 while clicking on an atom with the left mouse button causes that atom to be
    4124 selected (Shift + a Right click does the same). Any previously selected atoms
    4125 will be reset. If two atoms are overlapped in the current view, then the
     3646style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3647"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3648style='mso-spacerun:yes'>  </span><b>Shift+Left click</b>: Holding down the
     3649shift key while clicking on an atom with the left mouse button causes that atom
     3650to be selected (Shift + a Right click does the same). Any previously selected
     3651atoms will be reset. If two atoms are overlapped in the current view, then the
    41263652top-most atom will usually be selected. Only atoms in the asymmetric unit can
    41273653be selected from the plot in this way. <o:p></o:p></span></p>
    41283654
    41293655<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
    4130 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4131 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4132 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Shift</b></span></span></span><span
    4133 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Right</span></b></span><b><span
    4134 style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
    4135 style='mso-fareast-font-family:"Times New Roman"'>: Holding down the shift key
    4136 while clicking on an atom with the right mouse button causes the atom to be
    4137 selected if previously unselected and unselected if previously selected. Any
    4138 previously selected atoms will be <span class=GramE>continue</span> to be
    4139 selected so shift-right click can be used to add atoms to the selection list.
    4140 If two atoms are overlapped in the current view, then the top-most atom will
    4141 usually be selected. Only atoms in the asymmetric unit can be selected from the
    4142 plot in this way. </BL><o:p></o:p></span></p>
     3656style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3657"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3658style='mso-spacerun:yes'>  </span><b>Shift+Right click</b>: Holding down the
     3659shift key while clicking on an atom with the right mouse button causes the atom
     3660to be selected if previously unselected and unselected if previously selected.
     3661Any previously selected atoms will be continue to be selected so shift-right
     3662click can be used to add atoms to the selection list. If two atoms are
     3663overlapped in the current view, then the top-most atom will usually be
     3664selected. Only atoms in the asymmetric unit can be selected from the plot in
     3665this way.<o:p></o:p></span></p>
     3666
     3667<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
     3668text-indent:-.25in;mso-list:l6 level1 lfo28;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
     3669style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3670Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3671</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     3672‘n’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Select next
     3673atom in the displayed atom list.<o:p></o:p></span></p>
     3674
     3675<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
     3676auto;text-indent:-.25in;mso-list:l6 level1 lfo28;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
     3677style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3678Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3679</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     3680‘p’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Select the
     3681previous atom in the displayed atom list.<o:p></o:p></span></p>
     3682
     3683<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
     3684text-indent:-.25in;mso-list:l6 level1 lfo28;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
     3685style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     3686Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3687</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
     3688‘c’:</span></b><span style='mso-fareast-font-family:"Times New Roman"'> Set viewpoint
     3689at unit cell center. Resets n/p selection item to 1<sup>st</sup> atom.<o:p></o:p></span></p>
     3690
     3691<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
     3692style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
    41433693
    41443694<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
     
    41513701
    41523702<p class=MsoNormal style='margin-left:.75in;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
    4153 Draw Options window provides access to <span class=GramE>a number of</span>
    4154 items that control how the structure is displayed. </p>
     3703Draw Options window provides access to a number of items that control how the
     3704structure is displayed. </p>
    41553705
    41563706<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'><span
     
    41583708
    41593709<p 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'>A
    4160 plot that shows the atoms of the crystal structure is generated. The atoms are displayed
    4161 according to the controls in the in this page as well as options on the <a
    4162 href="#Draw_Atoms">Draw Atoms</a> page. </p>
     3710plot that shows the atoms of the crystal structure is generated. The atoms are
     3711displayed according to the controls in the in this page as well as options on
     3712the <a href="#Phase-Draw_Atoms">Draw Atoms</a> page. </p>
    41633713
    41643714<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'><span
     
    41703720
    41713721<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
    4172 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4173 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4174 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4175 style='mso-fareast-font-family:"Times New Roman"'> down left button (left
    4176 drag): rotates axes around screen x &amp; y <o:p></o:p></span></p>
     3722style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3723"Times New Roman"'><BL>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3724style='mso-spacerun:yes'>  </span>Holding down left button (left drag): rotates
     3725axes around screen x &amp; y <o:p></o:p></span></p>
    41773726
    41783727<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
    4179 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4180 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4181 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4182 style='mso-fareast-font-family:"Times New Roman"'> down right button (right
    4183 drag): translates the fractional coordinates assigned to the view point (which
    4184 is kept at the center of the plot). Note that the <span class=GramE>view point</span>
    4185 coordinates can also be entered directly. <o:p></o:p></span></p>
     3728style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3729"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3730style='mso-spacerun:yes'>  </span>Holding down right button (right drag):
     3731translates the fractional coordinates assigned to the view point (which is kept
     3732at the center of the plot). Note that the view point coordinates can also be
     3733entered directly. <o:p></o:p></span></p>
    41863734
    41873735<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
    4188 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4189 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4190 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4191 style='mso-fareast-font-family:"Times New Roman"'> down center button (center
    4192 drag): rotates axes around screen z <o:p></o:p></span></p>
     3736style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3737"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3738style='mso-spacerun:yes'>  </span>Holding down center button (center drag):
     3739rotates axes around screen z <o:p></o:p></span></p>
    41933740
    41943741<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
    4195 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4196 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4197 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Rotating</span></span><span
    4198 style='mso-fareast-font-family:"Times New Roman"'> the scroll wheel: changes
    4199 “camera position” (zoom in/out) </BL><o:p></o:p></span></p>
     3742style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3743"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     3744style='mso-spacerun:yes'>  </span>Rotating the scroll wheel: changes “camera
     3745position” (zoom in/out) </BL><o:p></o:p></span></p>
    42003746
    42013747<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
    4202 name="Phase-Draw_Atoms"></a><u>Draw Atoms<span class=MsoHyperlink><span
    4203 style='color:#5B9BD5;mso-themecolor:accent1'><o:p></o:p></span></span></u></h4>
     3748name="Phase-Draw_Atoms"></a><a name="_Draw_Atoms"></a><u>Draw Atoms<span
     3749class=MsoHyperlink><span style='color:#5B9BD5;mso-themecolor:accent1'><o:p></o:p></span></span></u></h4>
    42043750
    42053751<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
    42063752gives a list of the atoms and bonds that are to be rendered as lines, van der
    4207 Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or <span
    4208 class=SpellE>polyhedra</span>. There are two menus for this tab; Edit allows
    4209 modification of the list of atoms to be rendered and Compute gives some options
    4210 for geometric characterization of selected atoms.</p>
     3753Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or
     3754polyhedra. There are two menus for this tab; Edit allows modification of the list
     3755of atoms to be rendered and Compute gives some options for geometric
     3756characterization of selected atoms.</p>
    42113757
    42123758<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'><span
     
    42163762
    42173763<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    4218 text-indent:-.25in;mso-list:l13 level1 lfo25;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
     3764text-indent:-.25in;mso-list:l8 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
    42193765style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    4220 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4221 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom Selection from table</b>:
    4222 select individual atoms by a left click of the mouse when pointed at the left
    4223 most column (atom numbers) of the atom display; hold down the Ctrl key to add
    4224 to your selection; a previously selected atom will be deselected; hold down
    4225 Shift key to select from last in list selected to current selection. A selected
    4226 atom will be highlighted (in grey) and the atoms will be shown in green on the
    4227 plot. Selection without the Ctrl key will clear previous selections. A double
    4228 left click in the (empty) upper left box will select or deselect all atoms.</p>
     3766style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3767style='mso-bidi-font-weight:normal'>Atom Selection from table</b>: select
     3768individual atoms by a left click of the mouse when pointed at the left most
     3769column (atom numbers) of the atom display; hold down the Ctrl key to add to
     3770your selection; a previously selected atom will be deselected; hold down Shift
     3771key to select from last in list selected to current selection. A selected atom
     3772will be highlighted (in grey) and the atoms will be shown in green on the plot.
     3773Selection without the Ctrl key will clear previous selections. A double left
     3774click in the (empty) upper left box will select or deselect all atoms.</p>
    42293775
    42303776<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4231 auto;text-indent:-.25in;mso-list:l13 level1 lfo25;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
     3777auto;text-indent:-.25in;mso-list:l8 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
    42323778style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    4233 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4234 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>:
    4235 select an atom by a left click of the mouse while holding down the Shift key
    4236 and pointed at the center of the displayed atom, it will turn green if
    4237 successful and the corresponding entry in the table will be highlighted (in
    4238 grey); any previous selections will be cleared. To add <span class=GramE>to
    4239 .your</span> selection use the right mouse button (Shift down); if a previously
    4240 selection is reselected it is removed from the selection list. <b
    4241 style='mso-bidi-font-weight:normal'>NB</b>: beware of atoms that are hiding
    4242 behind the one you are trying to <span class=GramE>select,</span> they may be
     3779style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3780style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>: select an
     3781atom by a left click of the mouse while holding down the Shift key and pointed
     3782at the center of the displayed atom, it will turn green if successful and the
     3783corresponding entry in the table will be highlighted (in grey); any previous
     3784selections will be cleared. To add to .your selection use the right mouse
     3785button (Shift down); if a previously selection is reselected it is removed from
     3786the selection list. <b style='mso-bidi-font-weight:normal'>NB</b>: beware of
     3787atoms that are hiding behind the one you are trying to select, they may be
    42433788selected inadvertently. You can rotate the structure anytime during the
    42443789selection process.</p>
    42453790
    42463791<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4247 auto;text-indent:-.25in;mso-list:l13 level1 lfo25;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
     3792auto;text-indent:-.25in;mso-list:l8 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
    42483793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    4249 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4250 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Double left click a Name,
    4251 Type and <span class=SpellE>Sym</span> Op column heading</b>: a dialog box is
    4252 shown that allows you to select all atoms with that characteristic. For
    4253 example, selecting the Type column will show all the atom types; your choice
    4254 will then cause all those atoms to be selected.</p>
     3794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3795style='mso-bidi-font-weight:normal'>Double left click a Name, Type and Sym Op
     3796column heading</b>: a dialog box is shown that allows you to select all atoms
     3797with that characteristic. For example, selecting the Type column will show all
     3798the atom types; your choice will then cause all those atoms to be selected.</p>
    42553799
    42563800<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4257 auto;text-indent:-.25in;mso-list:l13 level1 lfo25;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
     3801auto;text-indent:-.25in;mso-list:l8 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
    42583802style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    4259 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4260 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Double left click a
    4261 Style, Label or Color column</b>: a dialog box is shown that allows you to
    4262 select a rendering option for all the atoms. For Color a color choice dialog is
    4263 displayed that covers the entire color spectrum. Choose a color by any of the
    4264 means available, press the “Add to Custom Colors”, select that color in the
    4265 Custom colors display and then press OK. <b style='mso-bidi-font-weight:normal'>NB</b>:
    4266 selecting Color will make all atoms have the same color and for Style “blank”
    4267 means the atoms aren’t rendered and thus the plot will not show any atoms or
    4268 bonds!</p>
    4269 
    4270 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4271 auto;text-indent:-.25in;mso-list:l13 level1 lfo25;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
    4272 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    4273 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4274 dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The
    4275 edit menu shows operations that can be performed on your selected atoms. You
    4276 must select one or more atoms before using any of the menu items. Most of these
    4277 items can also be accessed by selecting one or more atoms and <span
    4278 class=GramE>right-clicking</span> the mouse.</p>
    4279 
    4280 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4281 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
    4282 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    4283 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4284 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom style</b> – select
    4285 the rendering style for the selected atoms</p>
    4286 
    4287 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4288 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
    4289 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    4290 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4291 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom label</b> – select
    4292 the item to be shown as a label for each atom in selection. The choices <span
    4293 class=GramE>are:</span> none, type, name or number.</p>
    4294 
    4295 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4296 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
    4297 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    4298 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4299 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom color</b> – select
    4300 the color for the atom; a color choice dialog is displayed that covers the
     3803style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3804style='mso-bidi-font-weight:normal'>Double left click a Style, Label or Color
     3805column</b>: a dialog box is shown that allows you to select a rendering option
     3806for all the atoms. For Color a color choice dialog is displayed that covers the
    43013807entire color spectrum. Choose a color by any of the means available, press the
    43023808“Add to Custom Colors”, select that color in the Custom colors display and then
    4303 press OK.</p>
    4304 
    4305 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4306 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3809press OK. <b style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will
     3810make all atoms have the same color and for Style “blank” means the atoms aren’t
     3811rendered and thus the plot will not show any atoms or bonds!</p>
     3812
     3813<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3814auto;text-indent:-.25in;mso-list:l8 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
     3815style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
     3816style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     3817‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The edit menu shows
     3818operations that can be performed on your selected atoms. You must select one or
     3819more atoms before using any of the menu items. Most of these items can also be
     3820accessed by selecting one or more atoms and right-clicking the mouse.</p>
     3821
     3822<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3823auto;text-indent:-.25in;mso-list:l13 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
     3824style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
     3825style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3826style='mso-bidi-font-weight:normal'>Atom style</b> – select the rendering style
     3827for the selected atoms</p>
     3828
     3829<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3830auto;text-indent:-.25in;mso-list:l13 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
     3831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
     3832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3833style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be
     3834shown as a label for each atom in selection. The choices are: none, type, name
     3835or number.</p>
     3836
     3837<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3838auto;text-indent:-.25in;mso-list:l13 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
     3839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
     3840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3841style='mso-bidi-font-weight:normal'>Atom color</b> – select the color for the
     3842atom; a color choice dialog is displayed that covers the entire color spectrum.
     3843Choose a color by any of the means available, press the “Add to Custom Colors”,
     3844select that color in the Custom colors display and then press OK.</p>
     3845
     3846<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3847auto;text-indent:-.25in;mso-list:l13 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
    43073848style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    4308 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4309 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Reset atom colors</b> –
    4310 return the atom color back to their defaults for the selected atoms.</p>
    4311 
    4312 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4313 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3849style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3850style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the atom
     3851color back to their defaults for the selected atoms.</p>
     3852
     3853<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3854auto;text-indent:-.25in;mso-list:l13 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
    43143855style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    4315 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4316 dir=LTR></span><span class=GramE><b style='mso-bidi-font-weight:normal'>View
    4317 point</b></span> – position the plot view point to the first atom in the
    4318 selection.</p>
    4319 
    4320 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4321 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3856style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3857style='mso-bidi-font-weight:normal'>Edit atom radii </b>- </p>
     3858
     3859<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3860auto;text-indent:-.25in;mso-list:l13 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
    43223861style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    4323 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4324 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Add atoms</b> – using the
    4325 selected atoms, new ones are added to the bottom of the list after applying
    4326 your choice of symmetry operator and unit cell translation selected via a
    4327 dialog display. Duplicate atom positions are not retained. Any anisotropic
    4328 thermal displacement parameters (<span class=SpellE>Uij</span>) will be
    4329 transformed as appropriate.</p>
    4330 
    4331 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4332 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3862style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3863</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View
     3864point</b> – position the plot view point to the first atom in the selection.</p>
     3865
     3866<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3867auto;text-indent:-.25in;mso-list:l13 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
    43333868style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    4334 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4335 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Transform atoms</b> –
    4336 apply a symmetry operator and unit cell translation to the set of selected
    4337 atoms; they will be changed in place. Any anisotropic thermal displacement
    4338 parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
    4339 
    4340 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4341 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3869style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3870style='mso-bidi-font-weight:normal'>Select from list </b>- </p>
     3871
     3872<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3873auto;text-indent:-.25in;mso-list:l13 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
    43423874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    4343 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4344 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> –
    4345 using the atoms currently in the draw atom table, find all atoms that belong in
    4346 the coordination sphere around the selected atoms via unit cell translations.
    4347 NB: symmetry operations are not used in this search.</p>
    4348 
    4349 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4350 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3876style='mso-bidi-font-weight:normal'>Add atoms</b> – using the selected atoms,
     3877new ones are added to the bottom of the list after applying your choice of
     3878symmetry operator and unit cell translation selected via a dialog display.
     3879Duplicate atom positions are not retained. Any anisotropic thermal displacement
     3880parameters (Uij) will be transformed as appropriate.</p>
     3881
     3882<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3883auto;text-indent:-.25in;mso-list:l13 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
    43513884style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    4352 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4353 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Fill unit cell</b> -
    4354 using the atoms currently selected from the draw atom table, find all atoms
    4355 that fall inside or on the edge/surface/corners of the unit cell. This
    4356 operation is frequently performed before Fill CN-sphere.</p>
    4357 
    4358 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4359 auto;text-indent:-.25in;mso-list:l16 level1 lfo26;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
     3885style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3886</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add
     3887sphere of atoms </b>- </p>
     3888
     3889<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3890auto;text-indent:-.25in;mso-list:l13 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
    43603891style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    4361 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4362 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear
    4363 the entire draw atom table; it is then refilled from the Atoms table. You
    4364 should do this operation after any changes in the Atoms table, <span
    4365 class=GramE>e.g.</span> by a structure refinement.</p>
     3892style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3893</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Transform
     3894draw atoms</b> – apply a symmetry operator and unit cell translation to the set
     3895of selected atoms; they will be changed in place. Any anisotropic thermal
     3896displacement parameters (Uij) will be transformed as appropriate.</p>
     3897
     3898<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3899auto;text-indent:-.25in;mso-list:l13 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
     3900style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
     3901style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3902style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> – using the atoms
     3903currently in the draw atom table, find all atoms that belong in the
     3904coordination sphere around the selected atoms via unit cell translations. NB:
     3905symmetry operations are not used in this search.</p>
     3906
     3907<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3908auto;text-indent:-.25in;mso-list:l13 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
     3909style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>l.<span
     3910style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3911</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
     3912cell</b> - using the atoms currently selected from the draw atom table, find
     3913all atoms that fall inside or on the edge/surface/corners of the unit cell.
     3914This operation is frequently performed before Fill CN-sphere.</p>
     3915
     3916<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3917auto;text-indent:-.25in;mso-list:l13 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
     3918style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>m.<span
     3919style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3920style='mso-bidi-font-weight:normal'>Complete molecule </b>– </p>
     3921
     3922<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3923auto;text-indent:-.25in;mso-list:l13 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
     3924style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>n.<span
     3925style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3926style='mso-bidi-font-weight:normal'>Create void map </b>- </p>
     3927
     3928<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3929auto;text-indent:-.25in;mso-list:l13 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
     3930style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>o.<span
     3931style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3932style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear the entire draw
     3933atom table; it is then refilled from the Atoms table. You should do this
     3934operation after any changes in the Atoms table, e.g. by a structure refinement.</p>
     3935
     3936<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3937auto;text-indent:-.25in;mso-list:l13 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
     3938style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>p.<span
     3939style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3940style='mso-bidi-font-weight:normal'>Update draw atoms </b>– </p>
     3941
     3942<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3943auto;text-indent:-.25in;mso-list:l13 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
     3944style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>q.<span
     3945style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3946style='mso-bidi-font-weight:normal'>Load selected atoms </b>- </p>
    43663947
    43673948<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4368 auto;text-indent:-.25in;mso-list:l13 level1 lfo25;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
     3949auto;text-indent:-.25in;mso-list:l8 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
    43693950style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    4370 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4371 dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The
    4372 compute menu gives a choice of geometric calculations to be performed with the
    4373 selected atoms. You must select the appropriate number of atoms for these to
    4374 work and the computation is done for the atoms in selection order.</p>
    4375 
    4376 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4377 auto;text-indent:-.25in;mso-list:l13 level2 lfo25;tab-stops:list 1.0in'><![if !supportLists]><span
     3951style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     3952‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute menu gives a
     3953choice of geometric calculations to be performed with the selected atoms. You must
     3954select the appropriate number of atoms for these to work and the computation is
     3955done for the atoms in selection order.</p>
     3956
     3957<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3958auto;text-indent:-.25in;mso-list:l8 level2 lfo8;tab-stops:list 1.0in'><![if !supportLists]><span
    43783959style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    4379 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4380 dir=LTR></span><b style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this
    4381 calculates distance from <span class=GramE>view point</span> to all selected
    4382 draw atoms; result is given on the console window.</p>
    4383 
    4384 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4385 auto;text-indent:-.25in;mso-list:l13 level2 lfo25;tab-stops:list 1.0in'><![if !supportLists]><span
     3960style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3961style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this calculates
     3962distance from view point to all selected draw atoms; result is given on the
     3963console window.</p>
     3964
     3965<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     3966auto;text-indent:-.25in;mso-list:l8 level2 lfo8;tab-stops:list 1.0in'><![if !supportLists]><span
    43863967style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    4387 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4388 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b
    4389 style='mso-bidi-font-weight:normal'>Tors. </b>– when 2-4 atoms are selected, a
    4390 distance, angle or torsion angle will be found for them. The angles are
    4391 computed for the atoms in their selection order. The torsion angle is a <span
    4392 class=GramE>right hand</span> angle about the A2-A3 vector for the sequence of
    4393 atoms A1-A2-A3-A4. An estimated standard deviation is given for the calculated
    4394 value if a current variance-covariance matrix is available. The result is shown
    4395 on the console window; it may be cut &amp; pasted to another application (<span
    4396 class=GramE>e.g.</span> Microsoft Word).</p>
     3968style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3969style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
     3970normal'>Tors. </b>– when 2-4 atoms are selected, a distance, angle or torsion
     3971angle will be found for them. The angles are computed for the atoms in their
     3972selection order. The torsion angle is a right hand angle about the A2-A3 vector
     3973for the sequence of atoms A1-A2-A3-A4. An estimated standard deviation is given
     3974for the calculated value if a current variance-covariance matrix is available.
     3975The result is shown on the console window; it may be cut &amp; pasted to
     3976another application (e.g. Microsoft Word).</p>
    43973977
    43983978<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    4399 text-indent:-.25in;mso-list:l13 level2 lfo25;tab-stops:list 1.0in'><![if !supportLists]><span
     3979text-indent:-.25in;mso-list:l8 level2 lfo8;tab-stops:list 1.0in'><![if !supportLists]><span
    44003980style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    4401 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4402 dir=LTR></span><b style='mso-bidi-font-weight:normal'>Best plane</b> – when 4
    4403 or more atoms are selected, a best plane is determined for them. The result is
    4404 shown on the console window; it may be cut &amp; pasted to another application
    4405 (<span class=GramE>e.g.</span> Microsoft Word). Shown are the atom coordinates
    4406 transformed to Cartesian best plane coordinates where the largest range is over
    4407 the X-axis and the smallest is over the Z-axis with the origin at the
    4408 unweighted center of the selection. Root mean square displacements along each
    4409 axis for the best plane are also listed. The Z-axis RMS value indicates the
    4410 flatness of the proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>:
    4411 if you select (<span class=GramE>e.g.</span> all) atoms then Best plane will
    4412 give Cartesian coordinates for these atoms with respect to a coordinate system
    4413 where the X-axis is along the longest axis of the atom grouping and the Z-axis
    4414 is along the shortest distance. The origin is at the unweighted center of the
    4415 selected atoms.</p>
     3981style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3982style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms are
     3983selected, a best plane is determined for them. The result is shown on the
     3984console window; it may be cut &amp; pasted to another application (e.g.
     3985Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
     3986plane coordinates where the largest range is over the X-axis and the smallest
     3987is over the Z-axis with the origin at the unweighted center of the selection.
     3988Root mean square displacements along each axis for the best plane are also
     3989listed. The Z-axis RMS value indicates the flatness of the proposed plane. <b
     3990style='mso-bidi-font-weight:normal'>NB</b>: if you select (e.g. all) atoms then
     3991Best plane will give Cartesian coordinates for these atoms with respect to a
     3992coordinate system where the X-axis is along the longest axis of the atom
     3993grouping and the Z-axis is along the shortest distance. The origin is at the
     3994unweighted center of the selected atoms.</p>
    44163995
    44173996<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'><span
     
    44214000plot that shows the atoms of the crystal structure is generated. The atoms are
    44224001displayed according to the controls in the in this page as well as options on
    4423 the <a href="#Draw_Options">Draw Options</a> page. </p>
     4002the <a href="#Phase-Draw_Options">Draw Options</a> page. </p>
    44244003
    44254004<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'><span
     
    44314010
    44324011<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
    4433 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4434 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4435 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Left</b></span></span><b><span
    4436 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4437 style='mso-fareast-font-family:"Times New Roman"'>: Holding down left button
     4012style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4013"Times New Roman"'><BL>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4014style='mso-spacerun:yes'>  </span><b>Left drag</b>: Holding down left button
    44384015rotates axes around screen x &amp; y <o:p></o:p></span></p>
    44394016
    44404017<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
    4441 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4442 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4443 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Right</b></span></span><b><span
    4444 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4445 style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button
     4018style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4019"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4020style='mso-spacerun:yes'>  </span><b>Right drag</b>: Holding down right button
    44464021translates the fractional coordinates assigned to the view point (which is kept
    4447 at the center of the plot). The structure will appear to translate. (On Mac <span
    4448 class=SpellE>control+mouse</span> drag will also do this). The <span
    4449 class=GramE>view point</span> can also be entered directly in the Draw Options.
    4450 <o:p></o:p></span></p>
     4022at the center of the plot). The structure will appear to translate. (On Mac
     4023control+mouse drag will also do this). The view point can also be entered
     4024directly in the Draw Options. <o:p></o:p></span></p>
    44514025
    44524026<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
    4453 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4454 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4455 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Middle</b></span></span><b><span
    4456 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4457 style='mso-fareast-font-family:"Times New Roman"'>: Holding down center button
    4458 rotates axes around screen z (direction perpendicular to screen). <o:p></o:p></span></p>
     4027style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4028"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4029style='mso-spacerun:yes'>  </span><b>Middle drag</b>: Holding down center
     4030button rotates axes around screen z (direction perpendicular to screen). <o:p></o:p></span></p>
    44594031
    44604032<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
    4461 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4462 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4463 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Mouse</b></span></span><b><span
    4464 style='mso-fareast-font-family:"Times New Roman"'> Wheel</span></b><span
    4465 style='mso-fareast-font-family:"Times New Roman"'>: Rotating the scroll wheel:
    4466 changes “camera position” (zoom in/out) <o:p></o:p></span></p>
     4033style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4034"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4035style='mso-spacerun:yes'>  </span><b>Mouse Wheel</b>: Rotating the scroll
     4036wheel: changes “camera position” (zoom in/out) <o:p></o:p></span></p>
    44674037
    44684038<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
    4469 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4470 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4471 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Shift</b></span></span></span><span
    4472 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Left</span></b></span><b><span
    4473 style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
    4474 style='mso-fareast-font-family:"Times New Roman"'>: Holding down the shift key
    4475 while clicking on an atom with the left mouse button causes that atom to be
    4476 selected. Any previously selected atoms will be reset. If two atoms are
     4039style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4040"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4041style='mso-spacerun:yes'>  </span><b>Shift+Left click</b>: Holding down the
     4042shift key while clicking on an atom with the left mouse button causes that atom
     4043to be selected. Any previously selected atoms will be reset. If two atoms are
    44774044overlapped in the current view, then the top-most atom will usually be
    44784045selected. Atom selection requires that either the &quot;Atoms&quot; or
     
    44804047
    44814048<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
    4482 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4483 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4484 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Shift</b></span></span></span><span
    4485 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Right</span></b></span><b><span
    4486 style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
    4487 style='mso-fareast-font-family:"Times New Roman"'>: Holding down the shift key
    4488 while clicking on an atom with the right mouse button causes the atom to be
    4489 selected if previously unselected and unselected if previously selected. Any
    4490 previously selected atoms will be <span class=GramE>continue</span> to be
    4491 selected so shift-right click can be used to add atoms to the selection list.
    4492 (On Mac <span class=SpellE>control+mouse</span> click will also do this). If
    4493 two atoms are overlapped in the current view, then the top-most atom will
    4494 usually be selected. Atom selection requires that either the &quot;Atoms&quot; or
    4495 &quot;Draw Atoms&quot; phase be displayed. </BL><o:p></o:p></span></p>
     4049style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4050"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4051style='mso-spacerun:yes'>  </span><b>Shift+Right click</b>: Holding down the
     4052shift key while clicking on an atom with the right mouse button causes the atom
     4053to be selected if previously unselected and unselected if previously selected.
     4054Any previously selected atoms will be continue to be selected so shift-right
     4055click can be used to add atoms to the selection list. (On Mac control+mouse
     4056click will also do this). If two atoms are overlapped in the current view, then
     4057the top-most atom will usually be selected. Atom selection requires that either
     4058the &quot;Atoms&quot; or &quot;Draw Atoms&quot; phase be displayed. </BL><o:p></o:p></span></p>
    44964059
    44974060<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
     
    45004063<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
    45014064is used to insert rigid bodies into a structure. The rigid bodies must first be
    4502 defined for the project using the <a href="#Rigid_bodies">Rigid bodies tree
    4503 item</a>. It also allows control of the location of the rigid body and in this
    4504 phase</p>
     4065defined for the project using the <a href="gsasII.html">Rigid bodies tree item</a>.
     4066It also allows control of the location of the rigid body and in this phase</p>
    45054067
    45064068<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'><span
     
    45124074
    45134075<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
    4514 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4515 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4516 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4517 style='mso-fareast-font-family:"Times New Roman"'> down left button (left
    4518 drag): rotates axes around screen x &amp; y <o:p></o:p></span></p>
     4076style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4077"Times New Roman"'><BL>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4078style='mso-spacerun:yes'>  </span>Holding down left button (left drag): rotates
     4079axes around screen x &amp; y <o:p></o:p></span></p>
    45194080
    45204081<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
    4521 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4522 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4523 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4524 style='mso-fareast-font-family:"Times New Roman"'> down right button (right
    4525 drag): translates the fractional coordinates assigned to the view point (which
    4526 is kept at the center of the plot). The structure will appear to translate. The
    4527 <span class=GramE>view point</span> can also be entered directly in the Draw
    4528 Options. <o:p></o:p></span></p>
     4082style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4083"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4084style='mso-spacerun:yes'>  </span>Holding down right button (right drag):
     4085translates the fractional coordinates assigned to the view point (which is kept
     4086at the center of the plot). The structure will appear to translate. The view
     4087point can also be entered directly in the Draw Options. <o:p></o:p></span></p>
    45294088
    45304089<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
    4531 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4532 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4533 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
    4534 style='mso-fareast-font-family:"Times New Roman"'> down center button (center
    4535 drag): rotates axes around screen z <o:p></o:p></span></p>
     4090style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4091"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4092style='mso-spacerun:yes'>  </span>Holding down center button (center drag):
     4093rotates axes around screen z <o:p></o:p></span></p>
    45364094
    45374095<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
    4538 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4539 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4540 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Rotating</span></span><span
    4541 style='mso-fareast-font-family:"Times New Roman"'> the scroll wheel: changes
    4542 “camera position” (zoom in/out) </BL><o:p></o:p></span></p>
     4096style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4097"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4098style='mso-spacerun:yes'>  </span>Rotating the scroll wheel: changes “camera
     4099position” (zoom in/out) </BL><o:p></o:p></span></p>
    45434100
    45444101<p 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'>When
     
    45474104the atoms in the Draw Atoms list and to have atoms displayed as
    45484105&quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The rigid body will be
    4549 displayed as &quot;Ball-and-Sticks<span class=GramE>&quot;</span> but bonds
    4550 will be in green. Use of the Alt key causes the above mouse movements to
    4551 reposition the rigid body rather than change the view of the crystal structure:<o:p></o:p></p>
     4106displayed as &quot;Ball-and-Sticks&quot; but bonds will be in green. Use of the
     4107Alt key causes the above mouse movements to reposition the rigid body rather
     4108than change the view of the crystal structure:<o:p></o:p></p>
    45524109
    45534110<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
    4554 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4555 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4556 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Alt</b></span></span></span><span
    4557 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Left</span></b></span><b><span
    4558 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4559 style='mso-fareast-font-family:"Times New Roman"'>: Holding Alt while dragging
    4560 the mouse with the left button down rotates the rigid body around screen x
    4561 &amp; y axes <o:p></o:p></span></p>
     4111style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4112"Times New Roman"'><BL>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4113style='mso-spacerun:yes'>  </span><b>Alt+Left drag</b>: Holding Alt while
     4114dragging the mouse with the left button down rotates the rigid body around
     4115screen x &amp; y axes <o:p></o:p></span></p>
    45624116
    45634117<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
    4564 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4565 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4566 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Alt</b></span></span></span><span
    4567 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Middle</span></b></span><b><span
    4568 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4569 style='mso-fareast-font-family:"Times New Roman"'>: Holding Alt while dragging
    4570 the mouse with the middle button down rotates the rigid body around screen z
    4571 axis (out of screen) <o:p></o:p></span></p>
     4118style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4119"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4120style='mso-spacerun:yes'>  </span><b>Alt+Middle drag</b>: Holding Alt while
     4121dragging the mouse with the middle button down rotates the rigid body around
     4122screen z axis (out of screen) <o:p></o:p></span></p>
    45724123
    45734124<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
    4574 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
    4575 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
    4576 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><span class=SpellE><b>Alt</b></span></span></span><span
    4577 class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>+Right</span></b></span><b><span
    4578 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
    4579 style='mso-fareast-font-family:"Times New Roman"'>: Holding Alt while dragging
    4580 the mouse with the right button down translates the rigid body in the screen x
    4581 &amp; y directions (rotate the plot to see and move in the rigid body in the
    4582 third direction.) Pressing the &quot;Lock&quot; checkbox next to the origin
    4583 location prevents the origin from being changed in this way. </BL><o:p></o:p></span></p>
     4125style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     4126"Times New Roman"'>·</span><span style='mso-fareast-font-family:"Times New Roman"'><span
     4127style='mso-spacerun:yes'>  </span><b>Alt+Right drag</b>: Holding Alt while
     4128dragging the mouse with the right button down translates the rigid body in the
     4129screen x &amp; y directions (rotate the plot to see and move in the rigid body
     4130in the third direction.) Pressing the &quot;Lock&quot; checkbox next to the
     4131origin location prevents the origin from being changed in this way. </BL><o:p></o:p></span></p>
    45844132
    45854133<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
    4586 name="Phase-Texture"></a><a name="_Ref74983049"><span style='mso-bookmark:Texture'>Texture</span></a><span
    4587 style='mso-bookmark:Texture'> </span></h4>
     4134name=Texture></a><a name="_Ref74983049"></a><a name=Phase-Texture></a><span
     4135style='mso-bookmark:Texture'><span style='mso-bookmark:_Ref74983049'>Texture</span>
     4136</span></h4>
    45884137
    45894138<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'><o:p>&nbsp;</o:p></p>
     
    45914140<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
    45924141tab is used to control settings used for a texture study of a material. This
    4593 type of characterization requires diffraction data recorded with multiple detector
    4594 orientations (the number of orientations will depend on sample and material
    4595 symmetry). Do not confuse this with applying a <a href="#Preferred_orientation">preferred
    4596 orientation correction</a> (found in the <a href="#Data">&quot;Data&quot; tab</a>)
    4597 in a structural study. The sample orientation relative to the detector axes is
    4598 specified here and the detector orientation is specified for each histogram as
    4599 goniometer omega, chi, phi and azimuth values (details below). These values
    4600 must be specified. </p>
     4142type of characterization requires diffraction data recorded with multiple
     4143detector orientations (the number of orientations will depend on sample and
     4144material symmetry). Do not confuse this with applying a <a
     4145href="#Preferred_orientation">preferred orientation correction</a> (found in
     4146the <a href="#Data">&quot;Data&quot; tab</a>) in a structural study. The sample
     4147orientation relative to the detector axes is specified here and the detector
     4148orientation is specified for each histogram as goniometer omega, chi, phi and
     4149azimuth values (details below). These values must be specified. </p>
    46014150
    46024151<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'><o:p>&nbsp;</o:p></p>
     
    46064155analysis using GSAS-II employs spherical harmonics modeling, as described by
    46074156Bunge, &quot;Texture Analysis in Materials Science&quot; (1982), and
    4608 implemented by Von <span class=SpellE>Dreele</span>, J. Appl. <span
    4609 class=SpellE>Cryst</span>., <b style='mso-bidi-font-weight:normal'>30</b>,
    4610 517-525 (1997) in GSAS. The even part of the orientation distribution function
    4611 (ODF) via the general axis equation</p>
     4157implemented by Von Dreele, J. Appl. Cryst., <b style='mso-bidi-font-weight:
     4158normal'>30</b>, 517-525 (1997) in GSAS. The even part of the orientation
     4159distribution function (ODF) via the general axis equation</p>
    46124160
    46134161<p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    46664214style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    46674215"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    4668 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    4669  id="_x0000_i1025" type="#_x0000_t75" style='width:268pt;height:42pt'>
    4670  <v:imagedata src="gsasII-phase_files/image057.emz" o:title="" chromakey="white"/>
    4671 </v:shape><![endif]--><![if !vml]><img width=268 height=42
    4672 src="gsasII-phase_files/image058.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4216mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4217 id="_x0000_i1025" type="#_x0000_t75" style='width:267.6pt;height:42pt'>
     4218 <v:imagedata src="gsasII-phase_files/image003.png" o:title="" chromakey="white"/>
     4219</v:shape><![endif]--><![if !vml]><img width=357 height=56
     4220src="gsasII-phase_files/image004.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    46734221
    46744222<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    46884236"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    46894237top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4690 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4691  type="#_x0000_t75" style='width:33pt;height:26pt'>
    4692  <v:imagedata src="gsasII-phase_files/image059.emz" o:title="" chromakey="white"/>
    4693 </v:shape><![endif]--><![if !vml]><img width=33 height=26
    4694 src="gsasII-phase_files/image060.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4238EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4239 type="#_x0000_t75" style='width:33.2pt;height:26.4pt'>
     4240 <v:imagedata src="gsasII-phase_files/image005.png" o:title="" chromakey="white"/>
     4241</v:shape><![endif]--><![if !vml]><img width=44 height=35
     4242src="gsasII-phase_files/image006.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    46954243style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    46964244   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    47044252"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    47054253top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4706 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4707  type="#_x0000_t75" style='width:30pt;height:26pt'>
    4708  <v:imagedata src="gsasII-phase_files/image061.emz" o:title="" chromakey="white"/>
    4709 </v:shape><![endif]--><![if !vml]><img width=30 height=26
    4710 src="gsasII-phase_files/image062.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
     4254EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4255 type="#_x0000_t75" style='width:30pt;height:26.25pt'>
     4256 <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
     4257</v:shape><![endif]--><![if !vml]><img width=40 height=35
     4258src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
    47114259take on values according to the sample and crystal symmetries, respectively,
    47124260and thus the two inner summations are over only the resulting unique, nonzero
     
    47304278"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    47314279top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4732 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4733  type="#_x0000_t75" style='width:30pt;height:26pt'>
    4734  <v:imagedata src="gsasII-phase_files/image063.emz" o:title="" chromakey="white"/>
    4735 </v:shape><![endif]--><![if !vml]><img width=30 height=26
    4736 src="gsasII-phase_files/image062.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
     4280EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4281 type="#_x0000_t75" style='width:30pt;height:26.25pt'>
     4282 <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
     4283</v:shape><![endif]--><![if !vml]><img width=40 height=35
     4284src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
    47374285is defined for each reflection, h, <i>via</i> polar and azimuthal coordinates (<span
    47384286style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>)
    47394287of a unit vector coincident with h relative to the reciprocal lattice. For most
    47404288crystal symmetries, <span style='font-family:Symbol'>f</span> is the angle
    4741 between h and the n-<span class=SpellE>th</span> order major rotation axis of
    4742 the space group (usually the c-axis) and <span style='font-family:Symbol'>b</span>
    4743 is the angle between the projections of h and any secondary axis (usually the
    4744 a-axis) onto the normal plane.<span style='mso-spacerun:yes'>  </span>In a
    4745 similar way the sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
     4289between h and the n-th order major rotation axis of the space group (usually
     4290the c-axis) and <span style='font-family:Symbol'>b</span> is the angle between
     4291the projections of h and any secondary axis (usually the a-axis) onto the
     4292normal plane.<span style='mso-spacerun:yes'>  </span>In a similar way the
     4293sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    47464294   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    47474295   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     
    47544302"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    47554303top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4756 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4757  type="#_x0000_t75" style='width:33pt;height:26pt'>
    4758  <v:imagedata src="gsasII-phase_files/image064.emz" o:title="" chromakey="white"/>
    4759 </v:shape><![endif]--><![if !vml]><img width=33 height=26
    4760 src="gsasII-phase_files/image065.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
     4304EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4305 type="#_x0000_t75" style='width:33pt;height:26.25pt'>
     4306 <v:imagedata src="gsasII-phase_files/image009.png" o:title="" chromakey="white"/>
     4307</v:shape><![endif]--><![if !vml]><img width=44 height=35
     4308src="gsasII-phase_files/image010.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
    47614309is defined according to polar and azimuthal coordinates (<span
    47624310style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>)
    4763 of a unit vector coincident with the diffraction vector relative to a
    4764 coordinate system attached to the external form of the sample. For example, in
    4765 the case of a rolled steel plate having mmm symmetry, the polar angle, <span
     4311of a unit vector coincident with the diffraction vector relative to a coordinate
     4312system attached to the external form of the sample. For example, in the case of
     4313a rolled steel plate having mmm symmetry, the polar angle, <span
    47664314style='font-family:Symbol'>y</span>, is frequently measured from the normal
    47674315direction (ND, parallel to K<sub>s</sub>) and <span style='font-family:Symbol'>g</span>
     
    48284376style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    48294377"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    4830 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    4831  id="_x0000_i1025" type="#_x0000_t75" style='width:321pt;height:42pt'>
    4832  <v:imagedata src="gsasII-phase_files/image066.emz" o:title="" chromakey="white"/>
    4833 </v:shape><![endif]--><![if !vml]><img width=321 height=42
    4834 src="gsasII-phase_files/image067.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
     4378mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4379 id="_x0000_i1025" type="#_x0000_t75" style='width:320.95pt;height:42pt'>
     4380 <v:imagedata src="gsasII-phase_files/image011.png" o:title="" chromakey="white"/>
     4381</v:shape><![endif]--><![if !vml]><img width=428 height=56
     4382src="gsasII-phase_files/image012.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
    48354383Note that this version of the general axis equation differs from that shown in
    4836 Von <span class=SpellE>Dreele</span> (1997) in that the assignment of m and n
    4837 are reversed. </p>
     4384Von Dreele (1997) in that the assignment of m and n are reversed. </p>
    48384385
    48394386<p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    48414388a diffraction experiment the crystal reflection coordinates (<span
    48424389style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>)
    4843 are determined by the choice of reflection index (<span class=SpellE>hkl</span>)
    4844 while the sample coordinates (<span style='font-family:Symbol'>y</span>, <span
    4845 style='font-family:Symbol'>g</span>) are determined by the sample orientation
    4846 on the diffractometer. To define the sample coordinates (<span
    4847 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>),
    4848 we have defined an instrument coordinate system (I, J, K) such that K is normal
    4849 to the diffraction plane and J is coincident with the direction of the incident
    4850 radiation beam toward the source. We further define a standard set of
    4851 right-handed <span class=SpellE>eulerian</span> goniometer angles (<span
     4390are determined by the choice of reflection index (hkl) while the sample coordinates
     4391(<span style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>)
     4392are determined by the sample orientation on the diffractometer. To define the
     4393sample coordinates (<span style='font-family:Symbol'>y</span>, <span
     4394style='font-family:Symbol'>g</span>), we have defined an instrument coordinate
     4395system (I, J, K) such that K is normal to the diffraction plane and J is
     4396coincident with the direction of the incident radiation beam toward the source.
     4397We further define a standard set of right-handed eulerian goniometer angles (<span
    48524398style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,
    48534399<span style='font-family:Symbol'>F</span>) so that <span style='font-family:
     
    48584404</span>Finally, as the sample may be mounted so that the sample coordinate
    48594405system (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>) does not coincide with the
    4860 instrument coordinate system (I, J, K), we define three <span class=SpellE>eulerian</span>
    4861 sample rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>,
    4862 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
    4863 Symbol'>F</span><sub>s</sub>) that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>,
    4864 K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample
    4865 rotation angles are defined so that with the goniometer angles at zero <span
    4866 style='font-family:Symbol'>W</span><sub>s</sub> and <span style='font-family:
    4867 Symbol'>F</span><sub>s</sub> are rotations about K and <span style='font-family:
    4868 Symbol'>C</span><sub>s</sub> is a rotation about J.<span
    4869 style='mso-spacerun:yes'>  </span>The zeros of these three sample rotation
    4870 angles can be refined as part of the Rietveld analysis to accommodate any
    4871 angular offset in sample mounting. For the specific case of cylindrical sample
    4872 symmetry, the cylinder axis is coincident with K<sub>s</sub> as is the 2-fold
    4873 in 2/m sample symmetry. After including the diffraction angle, <span
    4874 style='font-family:Symbol'>Q</span>, and a detector azimuthal angle, A, the
    4875 full rotation matrix, <b style='mso-bidi-font-weight:normal'>M</b>, is </p>
     4406instrument coordinate system (I, J, K), we define three eulerian sample
     4407rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>, <span
     4408style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>)
     4409that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>)
     4410to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample rotation angles
     4411are defined so that with the goniometer angles at zero <span style='font-family:
     4412Symbol'>W</span><sub>s</sub> and <span style='font-family:Symbol'>F</span><sub>s</sub>
     4413are rotations about K and <span style='font-family:Symbol'>C</span><sub>s</sub>
     4414is a rotation about J.<span style='mso-spacerun:yes'>  </span>The zeros of
     4415these three sample rotation angles can be refined as part of the Rietveld
     4416analysis to accommodate any angular offset in sample mounting. For the specific
     4417case of cylindrical sample symmetry, the cylinder axis is coincident with K<sub>s</sub>
     4418as is the 2-fold in 2/m sample symmetry. After including the diffraction angle,
     4419<span style='font-family:Symbol'>Q</span>, and a detector azimuthal angle, A,
     4420the full rotation matrix, <b style='mso-bidi-font-weight:normal'>M</b>, is </p>
    48764421
    48774422<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    48824427normal'><span style='font-family:Symbol'>F</span>+</b><b style='mso-bidi-font-weight:
    48834428normal'><span style='font-family:Symbol'>F</span><sub>s</sub>)</b><b
    4884 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><span
    4885 class=SpellE><sub>s</sub><span style='font-family:Symbol'>W</span><sub>s</sub></span><o:p></o:p></b></p>
     4429style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><sub>s</sub></b><b
     4430style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>W</span><sub>s</sub><o:p></o:p></b></p>
    48864431
    48874432<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    48924437
    48934438<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
    4894 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
    4895 class=GramE><i>cos</i>(</span><span style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
     4439margin-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'><i>cos</i>(<span
     4440style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
    48964441 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span
    48974442   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    49084453"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    49094454top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4910 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4911  type="#_x0000_t75" style='width:34pt;height:50pt'>
    4912  <v:imagedata src="gsasII-phase_files/image068.emz" o:title="" chromakey="white"/>
    4913 </v:shape><![endif]--><![if !vml]><img width=34 height=50
    4914 src="gsasII-phase_files/image069.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4455EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4456 type="#_x0000_t75" style='width:33.75pt;height:50.25pt'>
     4457 <v:imagedata src="gsasII-phase_files/image013.png" o:title="" chromakey="white"/>
     4458</v:shape><![endif]--><![if !vml]><img width=45 height=67
     4459src="gsasII-phase_files/image014.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    49154460style='mso-spacerun:yes'> </span>and<span style='mso-spacerun:yes'>   </span><i>tan</i>(<span
    49164461style='font-family:Symbol'>g</span>) = <!--[if gte msEquation 12]><m:oMath><m:f><m:fPr><m:type
     
    49434488"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    49444489top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4945 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4946  type="#_x0000_t75" style='width:80pt;height:50pt'>
    4947  <v:imagedata src="gsasII-phase_files/image070.emz" o:title="" chromakey="white"/>
    4948 </v:shape><![endif]--><![if !vml]><img width=80 height=50
    4949 src="gsasII-phase_files/image071.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4490EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4491 type="#_x0000_t75" style='width:80.25pt;height:50.25pt'>
     4492 <v:imagedata src="gsasII-phase_files/image015.png" o:title="" chromakey="white"/>
     4493</v:shape><![endif]--><![if !vml]><img width=107 height=67
     4494src="gsasII-phase_files/image016.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    49504495
    49514496<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    49624507"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    49634508top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4964 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4965  type="#_x0000_t75" style='width:45pt;height:26pt'>
    4966  <v:imagedata src="gsasII-phase_files/image072.emz" o:title="" chromakey="white"/>
    4967 </v:shape><![endif]--><![if !vml]><img width=45 height=26
    4968 src="gsasII-phase_files/image073.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4509EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4510 type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
     4511 <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
     4512</v:shape><![endif]--><![if !vml]><img width=61 height=35
     4513src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    49694514style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    49704515   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    49784523"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    49794524top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4980 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4981  type="#_x0000_t75" style='width:44pt;height:26pt'>
    4982  <v:imagedata src="gsasII-phase_files/image074.emz" o:title="" chromakey="white"/>
    4983 </v:shape><![endif]--><![if !vml]><img width=44 height=26
    4984 src="gsasII-phase_files/image075.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
     4525EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4526 type="#_x0000_t75" style='width:43.5pt;height:26.25pt'>
     4527 <v:imagedata src="gsasII-phase_files/image019.png" o:title="" chromakey="white"/>
     4528</v:shape><![endif]--><![if !vml]><img width=58 height=35
     4529src="gsasII-phase_files/image020.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
    49854530are developed from (those for <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    49864531   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    49944539"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    49954540top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4996 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4997  type="#_x0000_t75" style='width:45pt;height:26pt'>
    4998  <v:imagedata src="gsasII-phase_files/image076.emz" o:title="" chromakey="white"/>
    4999 </v:shape><![endif]--><![if !vml]><img width=45 height=26
    5000 src="gsasII-phase_files/image073.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4541EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4542 type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
     4543 <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
     4544</v:shape><![endif]--><![if !vml]><img width=61 height=35
     4545src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    50014546style='mso-spacerun:yes'> </span>are similar)</p>
    50024547
     
    50484593style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    50494594"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    5050 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    5051  id="_x0000_i1025" type="#_x0000_t75" style='width:158pt;height:42pt'>
    5052  <v:imagedata src="gsasII-phase_files/image077.emz" o:title="" chromakey="white"/>
    5053 </v:shape><![endif]--><![if !vml]><img width=158 height=42
    5054 src="gsasII-phase_files/image078.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4595mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4596 id="_x0000_i1025" type="#_x0000_t75" style='width:158.25pt;height:42pt'>
     4597 <v:imagedata src="gsasII-phase_files/image021.png" o:title="" chromakey="white"/>
     4598</v:shape><![endif]--><![if !vml]><img width=211 height=56
     4599src="gsasII-phase_files/image022.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    50554600
    50564601<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    50704615"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    50714616top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5072 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5073  type="#_x0000_t75" style='width:31pt;height:26pt'>
    5074  <v:imagedata src="gsasII-phase_files/image079.emz" o:title="" chromakey="white"/>
    5075 </v:shape><![endif]--><![if !vml]><img width=31 height=26
    5076 src="gsasII-phase_files/image080.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
     4617EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4618 type="#_x0000_t75" style='width:30.75pt;height:26.25pt'>
     4619 <v:imagedata src="gsasII-phase_files/image023.png" o:title="" chromakey="white"/>
     4620</v:shape><![endif]--><![if !vml]><img width=41 height=35
     4621src="gsasII-phase_files/image024.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
    50774622are defined via a Fourier expansion as</p>
    50784623
     
    51204665style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    51214666"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    5122 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    5123  id="_x0000_i1025" type="#_x0000_t75" style='width:150pt;height:52pt'>
    5124  <v:imagedata src="gsasII-phase_files/image081.emz" o:title="" chromakey="white"/>
    5125 </v:shape><![endif]--><![if !vml]><img width=150 height=52
    5126 src="gsasII-phase_files/image082.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4667mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4668 id="_x0000_i1025" type="#_x0000_t75" style='width:149.25pt;height:52.5pt'>
     4669 <v:imagedata src="gsasII-phase_files/image025.png" o:title="" chromakey="white"/>
     4670</v:shape><![endif]--><![if !vml]><img width=199 height=70
     4671src="gsasII-phase_files/image026.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    51274672
    51284673<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    51734718style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    51744719"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    5175 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    5176  id="_x0000_i1025" type="#_x0000_t75" style='width:154pt;height:52pt'>
    5177  <v:imagedata src="gsasII-phase_files/image083.emz" o:title="" chromakey="white"/>
    5178 </v:shape><![endif]--><![if !vml]><img width=154 height=52
    5179 src="gsasII-phase_files/image084.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4720mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4721 id="_x0000_i1025" type="#_x0000_t75" style='width:153.75pt;height:52.5pt'>
     4722 <v:imagedata src="gsasII-phase_files/image027.png" o:title="" chromakey="white"/>
     4723</v:shape><![endif]--><![if !vml]><img width=205 height=70
     4724src="gsasII-phase_files/image028.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    51804725
    51814726<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
    51824727margin-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
    5183 <span class=SpellE>n</span> odd.<span style='mso-spacerun:yes'>  </span>Each
    5184 sum is only over either the even or odd values of s, respectively, because of
    5185 the properties of the Fourier coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
     4728n odd.<span style='mso-spacerun:yes'>  </span>Each sum is only over either the
     4729even or odd values of s, respectively, because of the properties of the Fourier
     4730coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    51864731   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    51874732   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     
    51944739"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    51954740top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5196 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5197  type="#_x0000_t75" style='width:22pt;height:26pt'>
    5198  <v:imagedata src="gsasII-phase_files/image085.emz" o:title="" chromakey="white"/>
    5199 </v:shape><![endif]--><![if !vml]><img width=22 height=26
    5200 src="gsasII-phase_files/image086.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
     4741EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4742 type="#_x0000_t75" style='width:21.75pt;height:26.25pt'>
     4743 <v:imagedata src="gsasII-phase_files/image029.png" o:title="" chromakey="white"/>
     4744</v:shape><![endif]--><![if !vml]><img width=29 height=35
     4745src="gsasII-phase_files/image030.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
    52014746style='mso-spacerun:yes'>  </span>These Fourier coefficients are determined so
    52024747that the definition </p>
     
    53194864style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
    53204865"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    5321 mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
    5322  id="_x0000_i1025" type="#_x0000_t75" style='width:409pt;height:55pt'>
    5323  <v:imagedata src="gsasII-phase_files/image087.emz" o:title="" chromakey="white"/>
    5324 </v:shape><![endif]--><![if !vml]><img width=409 height=55
    5325 src="gsasII-phase_files/image088.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
     4866mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4867 id="_x0000_i1025" type="#_x0000_t75" style='width:408.7pt;height:55.5pt'>
     4868 <v:imagedata src="gsasII-phase_files/image031.png" o:title="" chromakey="white"/>
     4869</v:shape><![endif]--><![if !vml]><img width=545 height=74
     4870src="gsasII-phase_files/image032.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
    53264871
    53274872<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    53554900"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    53564901top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5357 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5358  type="#_x0000_t75" style='width:102pt;height:26pt'>
    5359  <v:imagedata src="gsasII-phase_files/image089.emz" o:title="" chromakey="white"/>
    5360 </v:shape><![endif]--><![if !vml]><img width=102 height=26
    5361 src="gsasII-phase_files/image090.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4902EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4903 type="#_x0000_t75" style='width:102pt;height:26.25pt'>
     4904 <v:imagedata src="gsasII-phase_files/image033.png" o:title="" chromakey="white"/>
     4905</v:shape><![endif]--><![if !vml]><img width=136 height=35
     4906src="gsasII-phase_files/image034.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    53624907style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:func><m:funcPr><span
    53634908   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    53884933"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    53894934top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5390 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5391  type="#_x0000_t75" style='width:95pt;height:26pt'>
    5392  <v:imagedata src="gsasII-phase_files/image091.emz" o:title="" chromakey="white"/>
    5393 </v:shape><![endif]--><![if !vml]><img width=95 height=26
    5394 src="gsasII-phase_files/image092.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4935EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4936 type="#_x0000_t75" style='width:94.5pt;height:26.25pt'>
     4937 <v:imagedata src="gsasII-phase_files/image035.png" o:title="" chromakey="white"/>
     4938</v:shape><![endif]--><![if !vml]><img width=126 height=35
     4939src="gsasII-phase_files/image036.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    53954940style='mso-spacerun:yes'> </span>are combined depending on the symmetry and the
    5396 value of n (or m) along with appropriate no<span class=SpellE>rmalization</span>
    5397 coefficients to give the harmonic terms <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
     4941value of n (or m) along with appropriate normalization coefficients to give the
     4942harmonic terms <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    53984943   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    53994944   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     
    54074952"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    54084953top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5409 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5410  type="#_x0000_t75" style='width:46pt;height:26pt'>
    5411  <v:imagedata src="gsasII-phase_files/image093.emz" o:title="" chromakey="white"/>
    5412 </v:shape><![endif]--><![if !vml]><img width=46 height=26
    5413 src="gsasII-phase_files/image094.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     4954EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     4955 type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
     4956 <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
     4957</v:shape><![endif]--><![if !vml]><img width=61 height=35
     4958src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
    54144959style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    54154960   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    54244969"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    54254970top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    5426 EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    5427  type="#_x0000_t75" style='width:47pt;height:26pt'>
    5428  <v:imagedata src="gsasII-phase_files/image095.emz" o:title="" chromakey="white"/>
    5429 </v:shape><![endif]--><![if !vml]><img width=47 height=26
    5430 src="gsasII-phase_files/image0