Changeset 5253


Ignore:
Timestamp:
Mar 28, 2022 8:33:32 AM (12 months ago)
Author:
vondreele
Message:

fix error in PKS importer
remove cw multiplier in TOF peak fitting - leftover old profile fxn item
add help '?' to SASD substances & models & REFD models
add to help items

Location:
trunk
Files:
6 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIIO.py

    r5241 r5253  
    128128                peaks.append([float(item[0]),1.0])
    129129            elif len(item) > 1:
    130                 peaks.append([float(item[0]),float(item[0])])
     130                peaks.append([float(item[0]),float(item[1])])
    131131        S = File.readline()
    132132    File.close()
  • trunk/GSASIIpwd.py

    r5247 r5253  
    14081408    yb = getBackground('',parmDict,bakType,dataType,xdata,fixback)[0]
    14091409    yc = np.zeros_like(yb)
    1410     # cw = np.diff(xdata)
    1411     # cw = np.append(cw,cw[-1])
    14121410    if 'C' in dataType:
    14131411        shl = max(parmDict['SH/L'],0.002)
     
    16061604            ip = names.index(parm)
    16071605            dMdv[varyList.index(name)] = dMdpk[4*int(Id)+ip]
    1608     cw = np.diff(xdata)
    1609     cw = np.append(cw,cw[-1])
    16101606    if 'C' in dataType:
    16111607        shl = max(parmDict['SH/L'],0.002)
     
    17811777                dMdipk = getdEpsVoigt(pos,alp,bet,sig/1.e4,gam/100.,xdata[iBeg:iFin])
    17821778                for i in range(1,6):
    1783                     dMdpk[i][iBeg:iFin] += cw[iBeg:iFin]*intens*dMdipk[i]
    1784                 dMdpk[0][iBeg:iFin] += cw[iBeg:iFin]*dMdipk[0]
     1779                    dMdpk[i][iBeg:iFin] += intens*dMdipk[i]
     1780                dMdpk[0][iBeg:iFin] += dMdipk[0]
    17851781                dervDict = {'int':dMdpk[0],'pos':dMdpk[1],'alp':dMdpk[2],'bet':dMdpk[3],'sig':dMdpk[4]/1.e4,'gam':dMdpk[5]/100.}
    17861782                for parmName in ['pos','int','alp','bet','sig','gam']:
     
    18751871                dMdipk = getdEpsVoigt(pos,alp,bet,sig,gam,xdata[iBeg:iFin])
    18761872                for i in range(1,6):
    1877                     dMdpk[i][iBeg:iFin] += intens*cw[iBeg:iFin]*dMdipk[i]
    1878                 dMdpk[0][iBeg:iFin] += cw[iBeg:iFin]*dMdipk[0]
     1873                    dMdpk[i][iBeg:iFin] += intens*dMdipk[i]
     1874                dMdpk[0][iBeg:iFin] += dMdipk[0]
    18791875                dervDict = {'int':dMdpk[0],'pos':dMdpk[1],'alp':dMdpk[2],'bet':dMdpk[3],'sig':dMdpk[4],'gam':dMdpk[5]}
    18801876                for parmName in ['pos','int','alp','bet','sig','gam']:
  • trunk/GSASIIpwdGUI.py

    r5245 r5253  
    55535553           
    55545554    Inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))[0]
     5555    Name = G2frame.GPXtree.GetItemPyData(G2frame.PatternId)[2]
    55555556    wave = G2mth.getWave(Inst)
    55565557    G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.SubstanceMenu)
     
    55645565    G2frame.dataWindow.ClearData()
    55655566    mainSizer = G2frame.dataWindow.GetSizer()
     5567    topSizer = wx.BoxSizer(wx.HORIZONTAL)
     5568    topSizer.Add(wx.StaticText(G2frame.dataWindow,label='Sample substances for %s:'%Name),0,WACV)
     5569    topSizer.Add((-1,-1),1,wx.EXPAND)
     5570    print('Substance ',G2frame.dataWindow.helpKey)
     5571    topSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))
     5572    mainSizer.Add(topSizer,0,wx.EXPAND)
    55665573    mainSizer.Add(SubstSizer(),0)
    55675574    G2frame.dataWindow.SetDataSize()
     
    64456452    esdScale.Bind(wx.EVT_KILL_FOCUS,OnEsdScale)
    64466453    topSizer.Add(esdScale,0,WACV)
    6447     mainSizer.Add(topSizer)
     6454    topSizer.Add((-1,-1),1,wx.EXPAND)
     6455    topSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))
     6456    mainSizer.Add(topSizer,0,wx.EXPAND)
    64486457    G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
    64496458    if 'Size' in data['Current']:
     
    70147023    G2frame.dataWindow.ClearData()
    70157024    mainSizer = wx.BoxSizer(wx.VERTICAL)
    7016     mainSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Reflectometry fitting for: '+Name))
     7025    topSizer = wx.BoxSizer(wx.HORIZONTAL)
     7026    topSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Reflectometry fitting for: '+Name),0,WACV)
     7027    topSizer.Add((-1,-1),1,wx.EXPAND)
     7028    topSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))
     7029    mainSizer.Add(topSizer,0,wx.EXPAND)
    70177030    mainSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Controls:'))
    70187031    mainSizer.Add(ControlSizer())
  • trunk/help/gsasII-index.fld/filelist.xml

    r4964 r5253  
    11<xml xmlns:o="urn:schemas-microsoft-com:office:office">
    22 <o:MainFile HRef="../gsasII-index.html"/>
    3  <o:File HRef="item0001.xml"/>
    4  <o:File HRef="props002.xml"/>
     3 <o:File HRef="item0006.xml"/>
     4 <o:File HRef="props007.xml"/>
    55 <o:File HRef="themedata.thmx"/>
    66 <o:File HRef="colorschememapping.xml"/>
  • trunk/help/gsasII-index.html

    r4964 r5253  
    2424 <o:DocumentProperties>
    2525  <o:Author>Von Dreele</o:Author>
    26   <o:LastAuthor>Toby, Brian H.</o:LastAuthor>
    27   <o:Revision>159</o:Revision>
    28   <o:TotalTime>4530</o:TotalTime>
     26  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
     27  <o:Revision>160</o:Revision>
     28  <o:TotalTime>4536</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2021-06-20T13:49:00Z</o:LastSaved>
     30  <o:LastSaved>2022-03-25T17:10:00Z</o:LastSaved>
    3131  <o:Pages>1</o:Pages>
    32   <o:Words>264</o:Words>
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     32  <o:Words>326</o:Words>
     33  <o:Characters>1862</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
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    36   <o:Paragraphs>3</o:Paragraphs>
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     37  <o:CharactersWithSpaces>2184</o:CharactersWithSpaces>
    3838  <o:Version>16.00</o:Version>
    3939 </o:DocumentProperties>
     
    4242 </o:OfficeDocumentSettings>
    4343</xml><![endif]-->
    44 <link rel=dataStoreItem href="gsasII-index.fld/item0001.xml"
    45 target="gsasII-index.fld/props002.xml">
     44<link rel=dataStoreItem href="gsasII-index.fld/item0006.xml"
     45target="gsasII-index.fld/props007.xml">
    4646<link rel=themeData href="gsasII-index.fld/themedata.thmx">
    4747<link rel=colorSchemeMapping href="gsasII-index.fld/colorschememapping.xml">
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    53   <w:GrammarState>Clean</w:GrammarState>
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    1527         mso-level-tab-stop:2.5in;
    1528         mso-level-number-position:left;
    1529         text-indent:-.25in;
    1530         mso-ansi-font-size:10.0pt;
    1531         font-family:Wingdings;}
    1532 @list l3:level6
    1533         {mso-level-number-format:bullet;
    1534         mso-level-text:;
    1535         mso-level-tab-stop:3.0in;
    1536         mso-level-number-position:left;
    1537         text-indent:-.25in;
    1538         mso-ansi-font-size:10.0pt;
    1539         font-family:Wingdings;}
    1540 @list l3:level7
    1541         {mso-level-number-format:bullet;
    1542         mso-level-text:;
    1543         mso-level-tab-stop:3.5in;
    1544         mso-level-number-position:left;
    1545         text-indent:-.25in;
    1546         mso-ansi-font-size:10.0pt;
    1547         font-family:Wingdings;}
    1548 @list l3:level8
    1549         {mso-level-number-format:bullet;
    1550         mso-level-text:;
    1551         mso-level-tab-stop:4.0in;
    1552         mso-level-number-position:left;
    1553         text-indent:-.25in;
    1554         mso-ansi-font-size:10.0pt;
    1555         font-family:Wingdings;}
    1556 @list l3:level9
    1557         {mso-level-number-format:bullet;
    1558         mso-level-text:;
    1559         mso-level-tab-stop:4.5in;
    1560         mso-level-number-position:left;
    1561         text-indent:-.25in;
    1562         mso-ansi-font-size:10.0pt;
    1563         font-family:Wingdings;}
    1564 @list l4
    1565         {mso-list-id:223490398;
    1566         mso-list-template-ids:456303472;}
    1567 @list l4:level1
    1568         {mso-level-number-format:bullet;
    1569         mso-level-text:;
    1570         mso-level-tab-stop:.5in;
    1571         mso-level-number-position:left;
    1572         text-indent:-.25in;
    1573         mso-ansi-font-size:10.0pt;
    1574         font-family:Symbol;}
    1575 @list l4:level2
    1576         {mso-level-number-format:bullet;
    1577         mso-level-text:o;
    1578         mso-level-tab-stop:1.0in;
    1579         mso-level-number-position:left;
    1580         text-indent:-.25in;
    1581         mso-ansi-font-size:10.0pt;
    1582         font-family:"Courier New";
    1583         mso-bidi-font-family:"Times New Roman";}
    1584 @list l4:level3
    1585         {mso-level-number-format:bullet;
    1586         mso-level-text:;
    1587         mso-level-tab-stop:1.5in;
    1588         mso-level-number-position:left;
    1589         text-indent:-.25in;
    1590         mso-ansi-font-size:10.0pt;
    1591         font-family:Wingdings;}
    1592 @list l4:level4
    1593         {mso-level-number-format:bullet;
    1594         mso-level-text:;
    1595         mso-level-tab-stop:2.0in;
    1596         mso-level-number-position:left;
    1597         text-indent:-.25in;
    1598         mso-ansi-font-size:10.0pt;
    1599         font-family:Wingdings;}
    1600 @list l4:level5
    1601         {mso-level-number-format:bullet;
    1602         mso-level-text:;
    1603         mso-level-tab-stop:2.5in;
    1604         mso-level-number-position:left;
    1605         text-indent:-.25in;
    1606         mso-ansi-font-size:10.0pt;
    1607         font-family:Wingdings;}
    1608 @list l4:level6
    1609         {mso-level-number-format:bullet;
    1610         mso-level-text:;
    1611         mso-level-tab-stop:3.0in;
    1612         mso-level-number-position:left;
    1613         text-indent:-.25in;
    1614         mso-ansi-font-size:10.0pt;
    1615         font-family:Wingdings;}
    1616 @list l4:level7
    1617         {mso-level-number-format:bullet;
    1618         mso-level-text:;
    1619         mso-level-tab-stop:3.5in;
    1620         mso-level-number-position:left;
    1621         text-indent:-.25in;
    1622         mso-ansi-font-size:10.0pt;
    1623         font-family:Wingdings;}
    1624 @list l4:level8
    1625         {mso-level-number-format:bullet;
    1626         mso-level-text:;
    1627         mso-level-tab-stop:4.0in;
    1628         mso-level-number-position:left;
    1629         text-indent:-.25in;
    1630         mso-ansi-font-size:10.0pt;
    1631         font-family:Wingdings;}
    1632 @list l4:level9
    1633         {mso-level-number-format:bullet;
    1634         mso-level-text:;
    1635         mso-level-tab-stop:4.5in;
    1636         mso-level-number-position:left;
    1637         text-indent:-.25in;
    1638         mso-ansi-font-size:10.0pt;
    1639         font-family:Wingdings;}
    1640 @list l5
    1641         {mso-list-id:248927538;
    1642         mso-list-type:hybrid;
    1643         mso-list-template-ids:1455452774 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1644 @list l5:level1
    1645         {mso-level-tab-stop:none;
    1646         mso-level-number-position:left;
    1647         text-indent:-.25in;}
    1648 @list l5:level2
    1649         {mso-level-number-format:alpha-lower;
    1650         mso-level-tab-stop:none;
    1651         mso-level-number-position:left;
    1652         text-indent:-.25in;}
    1653 @list l5:level3
    1654         {mso-level-number-format:roman-lower;
    1655         mso-level-tab-stop:none;
    1656         mso-level-number-position:right;
    1657         text-indent:-9.0pt;}
    1658 @list l5:level4
    1659         {mso-level-tab-stop:none;
    1660         mso-level-number-position:left;
    1661         text-indent:-.25in;}
    1662 @list l5:level5
    1663         {mso-level-number-format:alpha-lower;
    1664         mso-level-tab-stop:none;
    1665         mso-level-number-position:left;
    1666         text-indent:-.25in;}
    1667 @list l5:level6
    1668         {mso-level-number-format:roman-lower;
    1669         mso-level-tab-stop:none;
    1670         mso-level-number-position:right;
    1671         text-indent:-9.0pt;}
    1672 @list l5:level7
    1673         {mso-level-tab-stop:none;
    1674         mso-level-number-position:left;
    1675         text-indent:-.25in;}
    1676 @list l5:level8
    1677         {mso-level-number-format:alpha-lower;
    1678         mso-level-tab-stop:none;
    1679         mso-level-number-position:left;
    1680         text-indent:-.25in;}
    1681 @list l5:level9
    1682         {mso-level-number-format:roman-lower;
    1683         mso-level-tab-stop:none;
    1684         mso-level-number-position:right;
    1685         text-indent:-9.0pt;}
    1686 @list l6
    1687         {mso-list-id:268514595;
    1688         mso-list-type:hybrid;
    1689         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1690 @list l6:level1
    1691         {mso-level-number-format:alpha-lower;
    1692         mso-level-tab-stop:none;
    1693         mso-level-number-position:left;
    1694         margin-left:1.0in;
    1695         text-indent:-.25in;
    1696         mso-ansi-font-weight:normal;}
    1697 @list l6:level2
    1698         {mso-level-tab-stop:1.0in;
    1699         mso-level-number-position:left;
    1700         text-indent:-.25in;}
    1701 @list l6:level3
    1702         {mso-level-tab-stop:112.5pt;
    1703         mso-level-number-position:left;
    1704         margin-left:112.5pt;
    1705         text-indent:-.25in;}
    1706 @list l6:level4
     1345@list l1:level4
    17071346        {mso-level-tab-stop:2.0in;
    17081347        mso-level-number-position:left;
    17091348        text-indent:-.25in;}
    1710 @list l6:level5
     1349@list l1:level5
    17111350        {mso-level-tab-stop:2.5in;
    17121351        mso-level-number-position:left;
    17131352        text-indent:-.25in;}
    1714 @list l6:level6
     1353@list l1:level6
    17151354        {mso-level-tab-stop:3.0in;
    17161355        mso-level-number-position:left;
    17171356        text-indent:-.25in;}
    1718 @list l6:level7
     1357@list l1:level7
    17191358        {mso-level-tab-stop:3.5in;
    17201359        mso-level-number-position:left;
    17211360        text-indent:-.25in;}
    1722 @list l6:level8
     1361@list l1:level8
    17231362        {mso-level-tab-stop:4.0in;
    17241363        mso-level-number-position:left;
    17251364        text-indent:-.25in;}
    1726 @list l6:level9
    1727         {mso-level-tab-stop:4.5in;
    1728         mso-level-number-position:left;
    1729         text-indent:-.25in;}
    1730 @list l7
    1731         {mso-list-id:273561754;
    1732         mso-list-template-ids:1775139198;}
    1733 @list l7:level1
    1734         {mso-level-number-format:bullet;
    1735         mso-level-text:;
    1736         mso-level-tab-stop:.5in;
    1737         mso-level-number-position:left;
    1738         text-indent:-.25in;
    1739         mso-ansi-font-size:10.0pt;
    1740         font-family:Symbol;}
    1741 @list l7:level2
    1742         {mso-level-number-format:bullet;
    1743         mso-level-text:o;
    1744         mso-level-tab-stop:1.0in;
    1745         mso-level-number-position:left;
    1746         text-indent:-.25in;
    1747         mso-ansi-font-size:10.0pt;
    1748         font-family:"Courier New";
    1749         mso-bidi-font-family:"Times New Roman";}
    1750 @list l7:level3
    1751         {mso-level-number-format:bullet;
    1752         mso-level-text:;
    1753         mso-level-tab-stop:1.5in;
    1754         mso-level-number-position:left;
    1755         text-indent:-.25in;
    1756         mso-ansi-font-size:10.0pt;
    1757         font-family:Wingdings;}
    1758 @list l7:level4
    1759         {mso-level-number-format:bullet;
    1760         mso-level-text:;
    1761         mso-level-tab-stop:2.0in;
    1762         mso-level-number-position:left;
    1763         text-indent:-.25in;
    1764         mso-ansi-font-size:10.0pt;
    1765         font-family:Wingdings;}
    1766 @list l7:level5
    1767         {mso-level-number-format:bullet;
    1768         mso-level-text:;
    1769         mso-level-tab-stop:2.5in;
    1770         mso-level-number-position:left;
    1771         text-indent:-.25in;
    1772         mso-ansi-font-size:10.0pt;
    1773         font-family:Wingdings;}
    1774 @list l7:level6
    1775         {mso-level-number-format:bullet;
    1776         mso-level-text:;
    1777         mso-level-tab-stop:3.0in;
    1778         mso-level-number-position:left;
    1779         text-indent:-.25in;
    1780         mso-ansi-font-size:10.0pt;
    1781         font-family:Wingdings;}
    1782 @list l7:level7
    1783         {mso-level-number-format:bullet;
    1784         mso-level-text:;
    1785         mso-level-tab-stop:3.5in;
    1786         mso-level-number-position:left;
    1787         text-indent:-.25in;
    1788         mso-ansi-font-size:10.0pt;
    1789         font-family:Wingdings;}
    1790 @list l7:level8
    1791         {mso-level-number-format:bullet;
    1792         mso-level-text:;
    1793         mso-level-tab-stop:4.0in;
    1794         mso-level-number-position:left;
    1795         text-indent:-.25in;
    1796         mso-ansi-font-size:10.0pt;
    1797         font-family:Wingdings;}
    1798 @list l7:level9
    1799         {mso-level-number-format:bullet;
    1800         mso-level-text:;
    1801         mso-level-tab-stop:4.5in;
    1802         mso-level-number-position:left;
    1803         text-indent:-.25in;
    1804         mso-ansi-font-size:10.0pt;
    1805         font-family:Wingdings;}
    1806 @list l8
    1807         {mso-list-id:395513838;
    1808         mso-list-template-ids:-1930940720;}
    1809 @list l8:level1
    1810         {mso-level-number-format:bullet;
    1811         mso-level-text:;
    1812         mso-level-tab-stop:.5in;
    1813         mso-level-number-position:left;
    1814         text-indent:-.25in;
    1815         mso-ansi-font-size:10.0pt;
    1816         font-family:Symbol;}
    1817 @list l8:level2
    1818         {mso-level-number-format:bullet;
    1819         mso-level-text:o;
    1820         mso-level-tab-stop:1.0in;
    1821         mso-level-number-position:left;
    1822         text-indent:-.25in;
    1823         mso-ansi-font-size:10.0pt;
    1824         font-family:"Courier New";
    1825         mso-bidi-font-family:"Times New Roman";}
    1826 @list l8:level3
    1827         {mso-level-number-format:bullet;
    1828         mso-level-text:;
    1829         mso-level-tab-stop:1.5in;
    1830         mso-level-number-position:left;
    1831         text-indent:-.25in;
    1832         mso-ansi-font-size:10.0pt;
    1833         font-family:Wingdings;}
    1834 @list l8:level4
    1835         {mso-level-number-format:bullet;
    1836         mso-level-text:;
    1837         mso-level-tab-stop:2.0in;
    1838         mso-level-number-position:left;
    1839         text-indent:-.25in;
    1840         mso-ansi-font-size:10.0pt;
    1841         font-family:Wingdings;}
    1842 @list l8:level5
    1843         {mso-level-number-format:bullet;
    1844         mso-level-text:;
    1845         mso-level-tab-stop:2.5in;
    1846         mso-level-number-position:left;
    1847         text-indent:-.25in;
    1848         mso-ansi-font-size:10.0pt;
    1849         font-family:Wingdings;}
    1850 @list l8:level6
    1851         {mso-level-number-format:bullet;
    1852         mso-level-text:;
    1853         mso-level-tab-stop:3.0in;
    1854         mso-level-number-position:left;
    1855         text-indent:-.25in;
    1856         mso-ansi-font-size:10.0pt;
    1857         font-family:Wingdings;}
    1858 @list l8:level7
    1859         {mso-level-number-format:bullet;
    1860         mso-level-text:;
    1861         mso-level-tab-stop:3.5in;
    1862         mso-level-number-position:left;
    1863         text-indent:-.25in;
    1864         mso-ansi-font-size:10.0pt;
    1865         font-family:Wingdings;}
    1866 @list l8:level8
    1867         {mso-level-number-format:bullet;
    1868         mso-level-text:;
    1869         mso-level-tab-stop:4.0in;
    1870         mso-level-number-position:left;
    1871         text-indent:-.25in;
    1872         mso-ansi-font-size:10.0pt;
    1873         font-family:Wingdings;}
    1874 @list l8:level9
    1875         {mso-level-number-format:bullet;
    1876         mso-level-text:;
    1877         mso-level-tab-stop:4.5in;
    1878         mso-level-number-position:left;
    1879         text-indent:-.25in;
    1880         mso-ansi-font-size:10.0pt;
    1881         font-family:Wingdings;}
    1882 @list l9
    1883         {mso-list-id:586499601;
    1884         mso-list-template-ids:-1875747298;}
    1885 @list l9:level1
    1886         {mso-level-tab-stop:.5in;
    1887         mso-level-number-position:left;
    1888         text-indent:-.25in;}
    1889 @list l9:level2
    1890         {mso-level-tab-stop:1.0in;
    1891         mso-level-number-position:left;
    1892         text-indent:-.25in;}
    1893 @list l9:level3
    1894         {mso-level-tab-stop:1.5in;
    1895         mso-level-number-position:left;
    1896         text-indent:-.25in;}
    1897 @list l9:level4
    1898         {mso-level-tab-stop:2.0in;
    1899         mso-level-number-position:left;
    1900         text-indent:-.25in;}
    1901 @list l9:level5
    1902         {mso-level-tab-stop:2.5in;
    1903         mso-level-number-position:left;
    1904         text-indent:-.25in;}
    1905 @list l9:level6
    1906         {mso-level-tab-stop:3.0in;
    1907         mso-level-number-position:left;
    1908         text-indent:-.25in;}
    1909 @list l9:level7
    1910         {mso-level-tab-stop:3.5in;
    1911         mso-level-number-position:left;
    1912         text-indent:-.25in;}
    1913 @list l9:level8
    1914         {mso-level-tab-stop:4.0in;
    1915         mso-level-number-position:left;
    1916         text-indent:-.25in;}
    1917 @list l9:level9
    1918         {mso-level-tab-stop:4.5in;
    1919         mso-level-number-position:left;
    1920         text-indent:-.25in;}
    1921 @list l10
    1922         {mso-list-id:617220658;
    1923         mso-list-type:hybrid;
    1924         mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1925 @list l10:level1
    1926         {mso-level-tab-stop:none;
    1927         mso-level-number-position:left;
    1928         text-indent:-.25in;}
    1929 @list l10:level2
    1930         {mso-level-tab-stop:1.0in;
    1931         mso-level-number-position:left;
    1932         text-indent:-.25in;}
    1933 @list l10:level3
    1934         {mso-level-tab-stop:1.5in;
    1935         mso-level-number-position:left;
    1936         text-indent:-.25in;}
    1937 @list l10:level4
    1938         {mso-level-tab-stop:2.0in;
    1939         mso-level-number-position:left;
    1940         text-indent:-.25in;}
    1941 @list l10:level5
    1942         {mso-level-tab-stop:2.5in;
    1943         mso-level-number-position:left;
    1944         text-indent:-.25in;}
    1945 @list l10:level6
    1946         {mso-level-tab-stop:3.0in;
    1947         mso-level-number-position:left;
    1948         text-indent:-.25in;}
    1949 @list l10:level7
    1950         {mso-level-tab-stop:3.5in;
    1951         mso-level-number-position:left;
    1952         text-indent:-.25in;}
    1953 @list l10:level8
    1954         {mso-level-tab-stop:4.0in;
    1955         mso-level-number-position:left;
    1956         text-indent:-.25in;}
    1957 @list l10:level9
    1958         {mso-level-tab-stop:4.5in;
    1959         mso-level-number-position:left;
    1960         text-indent:-.25in;}
    1961 @list l11
    1962         {mso-list-id:734669460;
    1963         mso-list-type:hybrid;
    1964         mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1965 @list l11:level1
    1966         {mso-level-tab-stop:none;
    1967         mso-level-number-position:left;
    1968         text-indent:-.25in;}
    1969 @list l11:level2
    1970         {mso-level-tab-stop:1.0in;
    1971         mso-level-number-position:left;
    1972         text-indent:-.25in;}
    1973 @list l11:level3
    1974         {mso-level-tab-stop:1.5in;
    1975         mso-level-number-position:left;
    1976         text-indent:-.25in;}
    1977 @list l11:level4
    1978         {mso-level-tab-stop:2.0in;
    1979         mso-level-number-position:left;
    1980         text-indent:-.25in;}
    1981 @list l11:level5
    1982         {mso-level-tab-stop:2.5in;
    1983         mso-level-number-position:left;
    1984         text-indent:-.25in;}
    1985 @list l11:level6
    1986         {mso-level-tab-stop:3.0in;
    1987         mso-level-number-position:left;
    1988         text-indent:-.25in;}
    1989 @list l11:level7
    1990         {mso-level-tab-stop:3.5in;
    1991         mso-level-number-position:left;
    1992         text-indent:-.25in;}
    1993 @list l11:level8
    1994         {mso-level-tab-stop:4.0in;
    1995         mso-level-number-position:left;
    1996         text-indent:-.25in;}
    1997 @list l11:level9
    1998         {mso-level-tab-stop:4.5in;
    1999         mso-level-number-position:left;
    2000         text-indent:-.25in;}
    2001 @list l12
    2002         {mso-list-id:850026630;
    2003         mso-list-type:hybrid;
    2004         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2005 @list l12:level1
    2006         {mso-level-tab-stop:none;
    2007         mso-level-number-position:left;
    2008         text-indent:-.25in;}
    2009 @list l12:level2
    2010         {mso-level-number-format:alpha-lower;
    2011         mso-level-tab-stop:none;
    2012         mso-level-number-position:left;
    2013         text-indent:-.25in;}
    2014 @list l12:level3
    2015         {mso-level-tab-stop:1.5in;
    2016         mso-level-number-position:left;
    2017         text-indent:-.25in;}
    2018 @list l12:level4
    2019         {mso-level-tab-stop:2.0in;
    2020         mso-level-number-position:left;
    2021         text-indent:-.25in;}
    2022 @list l12:level5
    2023         {mso-level-tab-stop:2.5in;
    2024         mso-level-number-position:left;
    2025         text-indent:-.25in;}
    2026 @list l12:level6
    2027         {mso-level-tab-stop:3.0in;
    2028         mso-level-number-position:left;
    2029         text-indent:-.25in;}
    2030 @list l12:level7
    2031         {mso-level-tab-stop:3.5in;
    2032         mso-level-number-position:left;
    2033         text-indent:-.25in;}
    2034 @list l12:level8
    2035         {mso-level-tab-stop:4.0in;
    2036         mso-level-number-position:left;
    2037         text-indent:-.25in;}
    2038 @list l12:level9
    2039         {mso-level-tab-stop:4.5in;
    2040         mso-level-number-position:left;
    2041         text-indent:-.25in;}
    2042 @list l13
    2043         {mso-list-id:919948450;
    2044         mso-list-template-ids:-445226636;}
    2045 @list l13:level1
    2046         {mso-level-tab-stop:none;
    2047         mso-level-number-position:left;
    2048         text-indent:-.25in;}
    2049 @list l13:level2
    2050         {mso-level-number-format:alpha-lower;
    2051         mso-level-tab-stop:1.0in;
    2052         mso-level-number-position:left;
    2053         text-indent:-.25in;}
    2054 @list l13:level3
    2055         {mso-level-tab-stop:1.5in;
    2056         mso-level-number-position:left;
    2057         text-indent:-.25in;}
    2058 @list l13:level4
    2059         {mso-level-number-format:alpha-lower;
    2060         mso-level-tab-stop:2.0in;
    2061         mso-level-number-position:left;
    2062         text-indent:-.25in;}
    2063 @list l13:level5
    2064         {mso-level-tab-stop:2.5in;
    2065         mso-level-number-position:left;
    2066         text-indent:-.25in;}
    2067 @list l13:level6
    2068         {mso-level-tab-stop:3.0in;
    2069         mso-level-number-position:left;
    2070         text-indent:-.25in;}
    2071 @list l13:level7
    2072         {mso-level-tab-stop:3.5in;
    2073         mso-level-number-position:left;
    2074         text-indent:-.25in;}
    2075 @list l13:level8
    2076         {mso-level-tab-stop:4.0in;
    2077         mso-level-number-position:left;
    2078         text-indent:-.25in;}
    2079 @list l13:level9
    2080         {mso-level-tab-stop:4.5in;
    2081         mso-level-number-position:left;
    2082         text-indent:-.25in;}
    2083 @list l14
    2084         {mso-list-id:1074664733;
    2085         mso-list-type:hybrid;
    2086         mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2087 @list l14:level1
    2088         {mso-level-number-format:alpha-lower;
    2089         mso-level-tab-stop:none;
    2090         mso-level-number-position:left;
    2091         margin-left:1.0in;
    2092         text-indent:-.25in;
    2093         mso-ansi-font-weight:normal;}
    2094 @list l14:level2
    2095         {mso-level-number-format:alpha-lower;
    2096         mso-level-tab-stop:none;
    2097         mso-level-number-position:left;
    2098         text-indent:-.25in;}
    2099 @list l14:level3
    2100         {mso-level-tab-stop:1.5in;
    2101         mso-level-number-position:left;
    2102         text-indent:-.25in;}
    2103 @list l14:level4
    2104         {mso-level-tab-stop:2.0in;
    2105         mso-level-number-position:left;
    2106         text-indent:-.25in;}
    2107 @list l14:level5
    2108         {mso-level-tab-stop:2.5in;
    2109         mso-level-number-position:left;
    2110         text-indent:-.25in;}
    2111 @list l14:level6
    2112         {mso-level-tab-stop:3.0in;
    2113         mso-level-number-position:left;
    2114         text-indent:-.25in;}
    2115 @list l14:level7
    2116         {mso-level-tab-stop:3.5in;
    2117         mso-level-number-position:left;
    2118         text-indent:-.25in;}
    2119 @list l14:level8
    2120         {mso-level-tab-stop:4.0in;
    2121         mso-level-number-position:left;
    2122         text-indent:-.25in;}
    2123 @list l14:level9
    2124         {mso-level-tab-stop:4.5in;
    2125         mso-level-number-position:left;
    2126         text-indent:-.25in;}
    2127 @list l15
    2128         {mso-list-id:1114401595;
    2129         mso-list-template-ids:748465434;}
    2130 @list l15:level1
    2131         {mso-level-tab-stop:.5in;
    2132         mso-level-number-position:left;
    2133         text-indent:-.25in;}
    2134 @list l15:level2
    2135         {mso-level-number-format:alpha-upper;
    2136         mso-level-tab-stop:1.0in;
    2137         mso-level-number-position:left;
    2138         text-indent:-.25in;}
    2139 @list l15:level3
    2140         {mso-level-number-format:bullet;
    2141         mso-level-text:;
    2142         mso-level-tab-stop:1.5in;
    2143         mso-level-number-position:left;
    2144         text-indent:-.25in;
    2145         mso-ansi-font-size:10.0pt;
    2146         font-family:Wingdings;}
    2147 @list l15:level4
    2148         {mso-level-tab-stop:2.0in;
    2149         mso-level-number-position:left;
    2150         text-indent:-.25in;}
    2151 @list l15:level5
    2152         {mso-level-tab-stop:2.5in;
    2153         mso-level-number-position:left;
    2154         text-indent:-.25in;}
    2155 @list l15:level6
    2156         {mso-level-tab-stop:3.0in;
    2157         mso-level-number-position:left;
    2158         text-indent:-.25in;}
    2159 @list l15:level7
    2160         {mso-level-tab-stop:3.5in;
    2161         mso-level-number-position:left;
    2162         text-indent:-.25in;}
    2163 @list l15:level8
    2164         {mso-level-tab-stop:4.0in;
    2165         mso-level-number-position:left;
    2166         text-indent:-.25in;}
    2167 @list l15:level9
    2168         {mso-level-tab-stop:4.5in;
    2169         mso-level-number-position:left;
    2170         text-indent:-.25in;}
    2171 @list l16
    2172         {mso-list-id:1323200535;
    2173         mso-list-type:hybrid;
    2174         mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2175 @list l16:level1
    2176         {mso-level-number-format:alpha-lower;
    2177         mso-level-tab-stop:none;
    2178         mso-level-number-position:left;
    2179         margin-left:1.0in;
    2180         text-indent:-.25in;}
    2181 @list l16:level2
    2182         {mso-level-tab-stop:1.0in;
    2183         mso-level-number-position:left;
    2184         text-indent:-.25in;}
    2185 @list l16:level3
    2186         {mso-level-tab-stop:1.5in;
    2187         mso-level-number-position:left;
    2188         text-indent:-.25in;}
    2189 @list l16:level4
    2190         {mso-level-tab-stop:2.0in;
    2191         mso-level-number-position:left;
    2192         text-indent:-.25in;}
    2193 @list l16:level5
    2194         {mso-level-tab-stop:2.5in;
    2195         mso-level-number-position:left;
    2196         text-indent:-.25in;}
    2197 @list l16:level6
    2198         {mso-level-tab-stop:3.0in;
    2199         mso-level-number-position:left;
    2200         text-indent:-.25in;}
    2201 @list l16:level7
    2202         {mso-level-tab-stop:3.5in;
    2203         mso-level-number-position:left;
    2204         text-indent:-.25in;}
    2205 @list l16:level8
    2206         {mso-level-tab-stop:4.0in;
    2207         mso-level-number-position:left;
    2208         text-indent:-.25in;}
    2209 @list l16:level9
    2210         {mso-level-tab-stop:4.5in;
    2211         mso-level-number-position:left;
    2212         text-indent:-.25in;}
    2213 @list l17
    2214         {mso-list-id:1394309879;
    2215         mso-list-template-ids:326264828;}
    2216 @list l17:level1
    2217         {mso-level-tab-stop:none;
    2218         mso-level-number-position:left;
    2219         text-indent:-.25in;}
    2220 @list l17:level2
    2221         {mso-level-number-format:alpha-lower;
    2222         mso-level-tab-stop:1.0in;
    2223         mso-level-number-position:left;
    2224         text-indent:-.25in;
    2225         mso-ansi-font-size:12.0pt;
    2226         font-family:"Times New Roman",serif;
    2227         mso-ansi-font-weight:normal;
    2228         mso-ansi-font-style:normal;}
    2229 @list l17:level3
    2230         {mso-level-tab-stop:1.5in;
    2231         mso-level-number-position:left;
    2232         text-indent:-.25in;}
    2233 @list l17:level4
    2234         {mso-level-number-format:alpha-lower;
    2235         mso-level-tab-stop:2.0in;
    2236         mso-level-number-position:left;
    2237         text-indent:-.25in;}
    2238 @list l17:level5
    2239         {mso-level-tab-stop:2.5in;
    2240         mso-level-number-position:left;
    2241         text-indent:-.25in;}
    2242 @list l17:level6
    2243         {mso-level-tab-stop:3.0in;
    2244         mso-level-number-position:left;
    2245         text-indent:-.25in;}
    2246 @list l17:level7
    2247         {mso-level-tab-stop:3.5in;
    2248         mso-level-number-position:left;
    2249         text-indent:-.25in;}
    2250 @list l17:level8
    2251         {mso-level-tab-stop:4.0in;
    2252         mso-level-number-position:left;
    2253         text-indent:-.25in;}
    2254 @list l17:level9
    2255         {mso-level-tab-stop:4.5in;
    2256         mso-level-number-position:left;
    2257         text-indent:-.25in;}
    2258 @list l18
    2259         {mso-list-id:1413820461;
    2260         mso-list-type:hybrid;
    2261         mso-list-template-ids:2031237610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2262 @list l18:level1
    2263         {mso-level-tab-stop:none;
    2264         mso-level-number-position:left;
    2265         margin-left:.25in;
    2266         text-indent:-.25in;}
    2267 @list l18:level2
    2268         {mso-level-number-format:alpha-lower;
    2269         mso-level-tab-stop:none;
    2270         mso-level-number-position:left;
    2271         margin-left:.75in;
    2272         text-indent:-.25in;}
    2273 @list l18:level3
    2274         {mso-level-number-format:roman-lower;
    2275         mso-level-tab-stop:none;
    2276         mso-level-number-position:right;
    2277         margin-left:1.25in;
    2278         text-indent:-9.0pt;}
    2279 @list l18:level4
    2280         {mso-level-tab-stop:none;
    2281         mso-level-number-position:left;
    2282         margin-left:1.75in;
    2283         text-indent:-.25in;}
    2284 @list l18:level5
    2285         {mso-level-number-format:alpha-lower;
    2286         mso-level-tab-stop:none;
    2287         mso-level-number-position:left;
    2288         margin-left:2.25in;
    2289         text-indent:-.25in;}
    2290 @list l18:level6
    2291         {mso-level-number-format:roman-lower;
    2292         mso-level-tab-stop:none;
    2293         mso-level-number-position:right;
    2294         margin-left:2.75in;
    2295         text-indent:-9.0pt;}
    2296 @list l18:level7
    2297         {mso-level-tab-stop:none;
    2298         mso-level-number-position:left;
    2299         margin-left:3.25in;
    2300         text-indent:-.25in;}
    2301 @list l18:level8
    2302         {mso-level-number-format:alpha-lower;
    2303         mso-level-tab-stop:none;
    2304         mso-level-number-position:left;
    2305         margin-left:3.75in;
    2306         text-indent:-.25in;}
    2307 @list l18:level9
    2308         {mso-level-number-format:roman-lower;
    2309         mso-level-tab-stop:none;
    2310         mso-level-number-position:right;
    2311         margin-left:4.25in;
    2312         text-indent:-9.0pt;}
    2313 @list l19
    2314         {mso-list-id:1580553544;
    2315         mso-list-template-ids:-615735862;}
    2316 @list l19:level1
    2317         {mso-level-tab-stop:.5in;
    2318         mso-level-number-position:left;
    2319         text-indent:-.25in;}
    2320 @list l19:level2
    2321         {mso-level-tab-stop:1.0in;
    2322         mso-level-number-position:left;
    2323         text-indent:-.25in;}
    2324 @list l19:level3
    2325         {mso-level-tab-stop:1.5in;
    2326         mso-level-number-position:left;
    2327         text-indent:-.25in;}
    2328 @list l19:level4
    2329         {mso-level-tab-stop:2.0in;
    2330         mso-level-number-position:left;
    2331         text-indent:-.25in;}
    2332 @list l19:level5
    2333         {mso-level-tab-stop:2.5in;
    2334         mso-level-number-position:left;
    2335         text-indent:-.25in;}
    2336 @list l19:level6
    2337         {mso-level-tab-stop:3.0in;
    2338         mso-level-number-position:left;
    2339         text-indent:-.25in;}
    2340 @list l19:level7
    2341         {mso-level-tab-stop:3.5in;
    2342         mso-level-number-position:left;
    2343         text-indent:-.25in;}
    2344 @list l19:level8
    2345         {mso-level-tab-stop:4.0in;
    2346         mso-level-number-position:left;
    2347         text-indent:-.25in;}
    2348 @list l19:level9
    2349         {mso-level-tab-stop:4.5in;
    2350         mso-level-number-position:left;
    2351         text-indent:-.25in;}
    2352 @list l20
    2353         {mso-list-id:1602683002;
    2354         mso-list-type:hybrid;
    2355         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2356 @list l20:level1
    2357         {mso-level-tab-stop:none;
    2358         mso-level-number-position:left;
    2359         text-indent:-.25in;}
    2360 @list l20:level2
    2361         {mso-level-number-format:alpha-lower;
    2362         mso-level-tab-stop:none;
    2363         mso-level-number-position:left;
    2364         text-indent:-.25in;}
    2365 @list l20:level3
    2366         {mso-level-tab-stop:1.5in;
    2367         mso-level-number-position:left;
    2368         text-indent:-.25in;}
    2369 @list l20:level4
    2370         {mso-level-tab-stop:2.0in;
    2371         mso-level-number-position:left;
    2372         text-indent:-.25in;}
    2373 @list l20:level5
    2374         {mso-level-tab-stop:2.5in;
    2375         mso-level-number-position:left;
    2376         text-indent:-.25in;}
    2377 @list l20:level6
    2378         {mso-level-tab-stop:3.0in;
    2379         mso-level-number-position:left;
    2380         text-indent:-.25in;}
    2381 @list l20:level7
    2382         {mso-level-tab-stop:3.5in;
    2383         mso-level-number-position:left;
    2384         text-indent:-.25in;}
    2385 @list l20:level8
    2386         {mso-level-tab-stop:4.0in;
    2387         mso-level-number-position:left;
    2388         text-indent:-.25in;}
    2389 @list l20:level9
    2390         {mso-level-tab-stop:4.5in;
    2391         mso-level-number-position:left;
    2392         text-indent:-.25in;}
    2393 @list l21
    2394         {mso-list-id:1669404025;
    2395         mso-list-type:hybrid;
    2396         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2397 @list l21:level1
    2398         {mso-level-number-format:alpha-lower;
    2399         mso-level-tab-stop:none;
    2400         mso-level-number-position:left;
    2401         margin-left:1.0in;
    2402         text-indent:-.25in;
    2403         mso-ansi-font-weight:normal;}
    2404 @list l21:level2
    2405         {mso-level-tab-stop:1.0in;
    2406         mso-level-number-position:left;
    2407         text-indent:-.25in;}
    2408 @list l21:level3
    2409         {mso-level-tab-stop:112.5pt;
    2410         mso-level-number-position:left;
    2411         margin-left:112.5pt;
    2412         text-indent:-.25in;}
    2413 @list l21:level4
    2414         {mso-level-tab-stop:2.0in;
    2415         mso-level-number-position:left;
    2416         text-indent:-.25in;}
    2417 @list l21:level5
    2418         {mso-level-tab-stop:2.5in;
    2419         mso-level-number-position:left;
    2420         text-indent:-.25in;}
    2421 @list l21:level6
    2422         {mso-level-tab-stop:3.0in;
    2423         mso-level-number-position:left;
    2424         text-indent:-.25in;}
    2425 @list l21:level7
    2426         {mso-level-tab-stop:3.5in;
    2427         mso-level-number-position:left;
    2428         text-indent:-.25in;}
    2429 @list l21:level8
    2430         {mso-level-tab-stop:4.0in;
    2431         mso-level-number-position:left;
    2432         text-indent:-.25in;}
    2433 @list l21:level9
    2434         {mso-level-tab-stop:4.5in;
    2435         mso-level-number-position:left;
    2436         text-indent:-.25in;}
    2437 @list l22
    2438         {mso-list-id:1734962708;
    2439         mso-list-template-ids:-2097672882;}
    2440 @list l22:level1
    2441         {mso-level-tab-stop:.5in;
    2442         mso-level-number-position:left;
    2443         text-indent:-.25in;}
    2444 @list l22:level2
    2445         {mso-level-number-format:bullet;
    2446         mso-level-text:o;
    2447         mso-level-tab-stop:1.0in;
    2448         mso-level-number-position:left;
    2449         text-indent:-.25in;
    2450         mso-ansi-font-size:10.0pt;
    2451         font-family:"Courier New";
    2452         mso-bidi-font-family:"Times New Roman";}
    2453 @list l22:level3
    2454         {mso-level-tab-stop:1.5in;
    2455         mso-level-number-position:left;
    2456         text-indent:-.25in;}
    2457 @list l22:level4
    2458         {mso-level-tab-stop:2.0in;
    2459         mso-level-number-position:left;
    2460         text-indent:-.25in;}
    2461 @list l22:level5
    2462         {mso-level-tab-stop:2.5in;
    2463         mso-level-number-position:left;
    2464         text-indent:-.25in;}
    2465 @list l22:level6
    2466         {mso-level-tab-stop:3.0in;
    2467         mso-level-number-position:left;
    2468         text-indent:-.25in;}
    2469 @list l22:level7
    2470         {mso-level-tab-stop:3.5in;
    2471         mso-level-number-position:left;
    2472         text-indent:-.25in;}
    2473 @list l22:level8
    2474         {mso-level-tab-stop:4.0in;
    2475         mso-level-number-position:left;
    2476         text-indent:-.25in;}
    2477 @list l22:level9
    2478         {mso-level-tab-stop:4.5in;
    2479         mso-level-number-position:left;
    2480         text-indent:-.25in;}
    2481 @list l23
    2482         {mso-list-id:1753089587;
    2483         mso-list-template-ids:1555050902;}
    2484 @list l23:level1
    2485         {mso-level-tab-stop:none;
    2486         mso-level-number-position:left;
    2487         text-indent:-.25in;}
    2488 @list l23:level2
    2489         {mso-level-tab-stop:1.0in;
    2490         mso-level-number-position:left;
    2491         text-indent:-.25in;}
    2492 @list l23:level3
    2493         {mso-level-tab-stop:1.5in;
    2494         mso-level-number-position:left;
    2495         text-indent:-.25in;}
    2496 @list l23:level4
    2497         {mso-level-tab-stop:2.0in;
    2498         mso-level-number-position:left;
    2499         text-indent:-.25in;}
    2500 @list l23:level5
    2501         {mso-level-tab-stop:2.5in;
    2502         mso-level-number-position:left;
    2503         text-indent:-.25in;}
    2504 @list l23:level6
    2505         {mso-level-tab-stop:3.0in;
    2506         mso-level-number-position:left;
    2507         text-indent:-.25in;}
    2508 @list l23:level7
    2509         {mso-level-tab-stop:3.5in;
    2510         mso-level-number-position:left;
    2511         text-indent:-.25in;}
    2512 @list l23:level8
    2513         {mso-level-tab-stop:4.0in;
    2514         mso-level-number-position:left;
    2515         text-indent:-.25in;}
    2516 @list l23:level9
    2517         {mso-level-tab-stop:4.5in;
    2518         mso-level-number-position:left;
    2519         text-indent:-.25in;}
    2520 @list l24
    2521         {mso-list-id:1773695911;
    2522         mso-list-type:hybrid;
    2523         mso-list-template-ids:-1704541642 595615172 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2524 @list l24:level1
    2525         {mso-level-tab-stop:none;
    2526         mso-level-number-position:left;
    2527         margin-left:.75in;
    2528         text-indent:-.25in;}
    2529 @list l24:level2
    2530         {mso-level-number-format:alpha-lower;
    2531         mso-level-tab-stop:none;
    2532         mso-level-number-position:left;
    2533         margin-left:1.25in;
    2534         text-indent:-.25in;}
    2535 @list l24:level3
    2536         {mso-level-number-format:roman-lower;
    2537         mso-level-tab-stop:none;
    2538         mso-level-number-position:right;
    2539         margin-left:1.75in;
    2540         text-indent:-9.0pt;}
    2541 @list l24:level4
    2542         {mso-level-tab-stop:none;
    2543         mso-level-number-position:left;
    2544         margin-left:2.25in;
    2545         text-indent:-.25in;}
    2546 @list l24:level5
    2547         {mso-level-number-format:alpha-lower;
    2548         mso-level-tab-stop:none;
    2549         mso-level-number-position:left;
    2550         margin-left:2.75in;
    2551         text-indent:-.25in;}
    2552 @list l24:level6
    2553         {mso-level-number-format:roman-lower;
    2554         mso-level-tab-stop:none;
    2555         mso-level-number-position:right;
    2556         margin-left:3.25in;
    2557         text-indent:-9.0pt;}
    2558 @list l24:level7
    2559         {mso-level-tab-stop:none;
    2560         mso-level-number-position:left;
    2561         margin-left:3.75in;
    2562         text-indent:-.25in;}
    2563 @list l24:level8
    2564         {mso-level-number-format:alpha-lower;
    2565         mso-level-tab-stop:none;
    2566         mso-level-number-position:left;
    2567         margin-left:4.25in;
    2568         text-indent:-.25in;}
    2569 @list l24:level9
    2570         {mso-level-number-format:roman-lower;
    2571         mso-level-tab-stop:none;
    2572         mso-level-number-position:right;
    2573         margin-left:4.75in;
    2574         text-indent:-9.0pt;}
    2575 @list l25
    2576         {mso-list-id:1840269000;
    2577         mso-list-type:hybrid;
    2578         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2579 @list l25:level1
    2580         {mso-level-tab-stop:none;
    2581         mso-level-number-position:left;
    2582         text-indent:-.25in;}
    2583 @list l25:level2
    2584         {mso-level-number-format:alpha-lower;
    2585         mso-level-tab-stop:none;
    2586         mso-level-number-position:left;
    2587         text-indent:-.25in;}
    2588 @list l25:level3
    2589         {mso-level-tab-stop:1.5in;
    2590         mso-level-number-position:left;
    2591         text-indent:-.25in;}
    2592 @list l25:level4
    2593         {mso-level-tab-stop:2.0in;
    2594         mso-level-number-position:left;
    2595         text-indent:-.25in;}
    2596 @list l25:level5
    2597         {mso-level-tab-stop:2.5in;
    2598         mso-level-number-position:left;
    2599         text-indent:-.25in;}
    2600 @list l25:level6
    2601         {mso-level-tab-stop:3.0in;
    2602         mso-level-number-position:left;
    2603         text-indent:-.25in;}
    2604 @list l25:level7
    2605         {mso-level-tab-stop:3.5in;
    2606         mso-level-number-position:left;
    2607         text-indent:-.25in;}
    2608 @list l25:level8
    2609         {mso-level-tab-stop:4.0in;
    2610         mso-level-number-position:left;
    2611         text-indent:-.25in;}
    2612 @list l25:level9
    2613         {mso-level-tab-stop:4.5in;
    2614         mso-level-number-position:left;
    2615         text-indent:-.25in;}
    2616 @list l26
    2617         {mso-list-id:1902254926;
    2618         mso-list-template-ids:1270895724;}
    2619 @list l26:level1
    2620         {mso-level-tab-stop:.5in;
    2621         mso-level-number-position:left;
    2622         text-indent:-.25in;}
    2623 @list l26:level2
    2624         {mso-level-tab-stop:1.0in;
    2625         mso-level-number-position:left;
    2626         text-indent:-.25in;}
    2627 @list l26:level3
    2628         {mso-level-tab-stop:1.5in;
    2629         mso-level-number-position:left;
    2630         text-indent:-.25in;}
    2631 @list l26:level4
    2632         {mso-level-tab-stop:2.0in;
    2633         mso-level-number-position:left;
    2634         text-indent:-.25in;}
    2635 @list l26:level5
    2636         {mso-level-tab-stop:2.5in;
    2637         mso-level-number-position:left;
    2638         text-indent:-.25in;}
    2639 @list l26:level6
    2640         {mso-level-tab-stop:3.0in;
    2641         mso-level-number-position:left;
    2642         text-indent:-.25in;}
    2643 @list l26:level7
    2644         {mso-level-tab-stop:3.5in;
    2645         mso-level-number-position:left;
    2646         text-indent:-.25in;}
    2647 @list l26:level8
    2648         {mso-level-tab-stop:4.0in;
    2649         mso-level-number-position:left;
    2650         text-indent:-.25in;}
    2651 @list l26:level9
    2652         {mso-level-tab-stop:4.5in;
    2653         mso-level-number-position:left;
    2654         text-indent:-.25in;}
    2655 @list l27
    2656         {mso-list-id:1949777749;
    2657         mso-list-template-ids:-863108910;}
    2658 @list l27:level1
    2659         {mso-level-tab-stop:.5in;
    2660         mso-level-number-position:left;
    2661         text-indent:-.25in;}
    2662 @list l27:level2
    2663         {mso-level-tab-stop:1.0in;
    2664         mso-level-number-position:left;
    2665         text-indent:-.25in;}
    2666 @list l27:level3
    2667         {mso-level-tab-stop:1.5in;
    2668         mso-level-number-position:left;
    2669         text-indent:-.25in;}
    2670 @list l27:level4
    2671         {mso-level-tab-stop:2.0in;
    2672         mso-level-number-position:left;
    2673         text-indent:-.25in;}
    2674 @list l27:level5
    2675         {mso-level-tab-stop:2.5in;
    2676         mso-level-number-position:left;
    2677         text-indent:-.25in;}
    2678 @list l27:level6
    2679         {mso-level-tab-stop:3.0in;
    2680         mso-level-number-position:left;
    2681         text-indent:-.25in;}
    2682 @list l27:level7
    2683         {mso-level-tab-stop:3.5in;
    2684         mso-level-number-position:left;
    2685         text-indent:-.25in;}
    2686 @list l27:level8
    2687         {mso-level-tab-stop:4.0in;
    2688         mso-level-number-position:left;
    2689         text-indent:-.25in;}
    2690 @list l27:level9
    2691         {mso-level-tab-stop:4.5in;
    2692         mso-level-number-position:left;
    2693         text-indent:-.25in;}
    2694 @list l28
    2695         {mso-list-id:2021002967;
    2696         mso-list-template-ids:449459044;}
    2697 @list l28:level1
    2698         {mso-level-tab-stop:.5in;
    2699         mso-level-number-position:left;
    2700         text-indent:-.25in;}
    2701 @list l28:level2
    2702         {mso-level-tab-stop:1.0in;
    2703         mso-level-number-position:left;
    2704         text-indent:-.25in;}
    2705 @list l28:level3
    2706         {mso-level-tab-stop:1.5in;
    2707         mso-level-number-position:left;
    2708         text-indent:-.25in;}
    2709 @list l28:level4
    2710         {mso-level-tab-stop:2.0in;
    2711         mso-level-number-position:left;
    2712         text-indent:-.25in;}
    2713 @list l28:level5
    2714         {mso-level-tab-stop:2.5in;
    2715         mso-level-number-position:left;
    2716         text-indent:-.25in;}
    2717 @list l28:level6
    2718         {mso-level-tab-stop:3.0in;
    2719         mso-level-number-position:left;
    2720         text-indent:-.25in;}
    2721 @list l28:level7
    2722         {mso-level-tab-stop:3.5in;
    2723         mso-level-number-position:left;
    2724         text-indent:-.25in;}
    2725 @list l28:level8
    2726         {mso-level-tab-stop:4.0in;
    2727         mso-level-number-position:left;
    2728         text-indent:-.25in;}
    2729 @list l28:level9
    2730         {mso-level-tab-stop:4.5in;
    2731         mso-level-number-position:left;
    2732         text-indent:-.25in;}
    2733 @list l29
    2734         {mso-list-id:2095858496;
    2735         mso-list-type:hybrid;
    2736         mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2737 @list l29:level1
    2738         {mso-level-tab-stop:none;
    2739         mso-level-number-position:left;
    2740         text-indent:-.25in;}
    2741 @list l29:level2
    2742         {mso-level-tab-stop:1.0in;
    2743         mso-level-number-position:left;
    2744         text-indent:-.25in;}
    2745 @list l29:level3
    2746         {mso-level-tab-stop:1.5in;
    2747         mso-level-number-position:left;
    2748         text-indent:-.25in;}
    2749 @list l29:level4
    2750         {mso-level-tab-stop:2.0in;
    2751         mso-level-number-position:left;
    2752         text-indent:-.25in;}
    2753 @list l29:level5
    2754         {mso-level-tab-stop:2.5in;
    2755         mso-level-number-position:left;
    2756         text-indent:-.25in;}
    2757 @list l29:level6
    2758         {mso-level-tab-stop:3.0in;
    2759         mso-level-number-position:left;
    2760         text-indent:-.25in;}
    2761 @list l29:level7
    2762         {mso-level-tab-stop:3.5in;
    2763         mso-level-number-position:left;
    2764         text-indent:-.25in;}
    2765 @list l29:level8
    2766         {mso-level-tab-stop:4.0in;
    2767         mso-level-number-position:left;
    2768         text-indent:-.25in;}
    2769 @list l29:level9
    2770         {mso-level-tab-stop:4.5in;
    2771         mso-level-number-position:left;
    2772         text-indent:-.25in;}
    2773 @list l30
    2774         {mso-list-id:2114591880;
    2775         mso-list-template-ids:-445226636;}
    2776 @list l30:level1
    2777         {mso-level-tab-stop:none;
    2778         mso-level-number-position:left;
    2779         text-indent:-.25in;}
    2780 @list l30:level2
    2781         {mso-level-number-format:alpha-lower;
    2782         mso-level-tab-stop:1.0in;
    2783         mso-level-number-position:left;
    2784         text-indent:-.25in;}
    2785 @list l30:level3
    2786         {mso-level-tab-stop:1.5in;
    2787         mso-level-number-position:left;
    2788         text-indent:-.25in;}
    2789 @list l30:level4
    2790         {mso-level-number-format:alpha-lower;
    2791         mso-level-tab-stop:2.0in;
    2792         mso-level-number-position:left;
    2793         text-indent:-.25in;}
    2794 @list l30:level5
    2795         {mso-level-tab-stop:2.5in;
    2796         mso-level-number-position:left;
    2797         text-indent:-.25in;}
    2798 @list l30:level6
    2799         {mso-level-tab-stop:3.0in;
    2800         mso-level-number-position:left;
    2801         text-indent:-.25in;}
    2802 @list l30:level7
    2803         {mso-level-tab-stop:3.5in;
    2804         mso-level-number-position:left;
    2805         text-indent:-.25in;}
    2806 @list l30:level8
    2807         {mso-level-tab-stop:4.0in;
    2808         mso-level-number-position:left;
    2809         text-indent:-.25in;}
    2810 @list l30:level9
     1365@list l1:level9
    28111366        {mso-level-tab-stop:4.5in;
    28121367        mso-level-number-position:left;
     
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    28861441style='mso-fareast-font-family:"Times New Roman"'>Help Index GSAS-II<o:p></o:p></span></h1>
     
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    28921447 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
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    28951451 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
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    28981454 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    2899      mso-list:l15 level1 lfo1;tab-stops:list .5in'><span style='mso-fareast-font-family:
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    29011457 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
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    29041460 <ol start=1 type=A>
    29051461  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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     1462      auto;mso-list:l1 level2 lfo3;tab-stops:list 1.0in'><span
    29071463      style='mso-fareast-font-family:"Times New Roman"'><a
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    29091465  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
    2910       auto;mso-list:l15 level2 lfo1;tab-stops:list 1.0in'><span
    2911       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII-phase.html#Phase">Phase </a>Data
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     1466      auto;mso-list:l1 level2 lfo3;tab-stops:list 1.0in'><span
     1467      style='mso-fareast-font-family:"Times New Roman"'><a
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    29131469  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    2915       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html#IMG">Image
    2916       (IMG) </a>Data Tree headings<o:p></o:p></span></li>
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    2919       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII-pwdr.html#PWDR">Powder
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     1475      style='mso-fareast-font-family:"Times New Roman"'><a
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    2928        style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII-pwdr.html#PWDR_Limits">Limits</a><o:p></o:p></span></li>
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    29391497       style='mso-fareast-font-family:"Times New Roman"'><a
    29401498       href="gsasII-pwdr.html#PWDR_Sample_Parameters">Sample Parameters</a><o:p></o:p></span></li>
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    29471505       style='mso-fareast-font-family:"Times New Roman"'><a
    29481506       href="gsasII-pwdr.html#PWDR_Index_Peak_List">Index Peak List</a><o:p></o:p></span></li>
    29491507   <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    29511509       style='mso-fareast-font-family:"Times New Roman"'><a
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    29531511   <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    29551513       style='mso-fareast-font-family:"Times New Roman"'><a
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    29581516  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    2960       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html#HKLF">Single Crystal
    2961       histogram (HKLF)</a> Data Tree headings<o:p></o:p></span></li>
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     1520      headings<o:p></o:p></span></li>
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    29651524       style='mso-fareast-font-family:"Times New Roman"'><a
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    29691528       style='mso-fareast-font-family:"Times New Roman"'><a
    29701529       href="gsasII.html#HKLF_HKL_Plot_Controls">HKL Plot Controls</a><o:p></o:p></span></li>
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     1531       auto;mso-list:l1 level3 lfo3;tab-stops:list 1.5in'><span
    29731532       style='mso-fareast-font-family:"Times New Roman"'><a
    29741533       href="gsasII.html#HKLF_Reflection_List">Reflection List</a><o:p></o:p></span></li>
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    29761535  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    2978       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html#PDF">Pair
    2979       Distribution Functions (PDF) </a>Data Tree headings<o:p></o:p></span></li>
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     1539      headings<o:p></o:p></span></li>
    29801540  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
    2981       auto;mso-list:l15 level2 lfo1;tab-stops:list 1.0in'><span
    2982       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html#PKS">Powder
    2983       Peaks (PKS) </a>Data Tree headings<o:p></o:p></span></li>
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     1542      style='mso-fareast-font-family:"Times New Roman"'><a
     1543      href="gsasII.html#PKS">Powder Peaks (PKS) </a>Data Tree headings<o:p></o:p></span></li>
    29841544  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
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    2986       style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html#SASD">Small
    2987       Angle Scattering (SASD) </a>Data Tree headings<o:p></o:p></span></li>
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     1547      href="gsasII.html#SASD">Small Angle Scattering (SASD) </a>Data Tree
     1548      headings<o:p></o:p></span></li>
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     1551      style='mso-fareast-font-family:"Times New Roman"'><a
     1552      href="gsasII.html#REFD">Reflectometry (REFD)</a> Data Tree headings<o:p></o:p></span></li>
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    2992      href="gsasII.html#Preferences">Configuration options</a> and <a href="gsasII.html#Programmers"><span
    2993      class=GramE>Programmers</span> documentation</a> <o:p></o:p></span></li>
     1557     href="gsasII.html#Preferences">Configuration options</a> and <a
     1558     href="gsasII.html#Programmers">Programmers documentation</a> <o:p></o:p></span></li>
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  • trunk/help/gsasII.html

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    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
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    1365 @list l0:level7
    1366         {mso-level-tab-stop:none;
    1367         mso-level-number-position:left;
    1368         margin-left:4.0in;
    1369         text-indent:-.25in;}
    1370 @list l0:level8
    1371         {mso-level-number-format:alpha-lower;
    1372         mso-level-tab-stop:none;
    1373         mso-level-number-position:left;
    1374         margin-left:4.5in;
    1375         text-indent:-.25in;}
    1376 @list l0:level9
    1377         {mso-level-number-format:roman-lower;
    1378         mso-level-tab-stop:none;
    1379         mso-level-number-position:right;
    1380         margin-left:5.0in;
    1381         text-indent:-9.0pt;}
    1382 @list l1
    13831322        {mso-list-id:81070383;
    13841323        mso-list-template-ids:-441677766;}
     1324@list l0:level1
     1325        {mso-level-number-format:bullet;
     1326        mso-level-text:;
     1327        mso-level-tab-stop:.5in;
     1328        mso-level-number-position:left;
     1329        text-indent:-.25in;
     1330        mso-ansi-font-size:10.0pt;
     1331        font-family:Symbol;}
     1332@list l0:level2
     1333        {mso-level-number-format:bullet;
     1334        mso-level-text:o;
     1335        mso-level-tab-stop:1.0in;
     1336        mso-level-number-position:left;
     1337        text-indent:-.25in;
     1338        mso-ansi-font-size:10.0pt;
     1339        font-family:"Courier New";
     1340        mso-bidi-font-family:"Times New Roman";}
     1341@list l0:level3
     1342        {mso-level-number-format:bullet;
     1343        mso-level-text:;
     1344        mso-level-tab-stop:1.5in;
     1345        mso-level-number-position:left;
     1346        text-indent:-.25in;
     1347        mso-ansi-font-size:10.0pt;
     1348        font-family:Wingdings;}
     1349@list l0:level4
     1350        {mso-level-number-format:bullet;
     1351        mso-level-text:;
     1352        mso-level-tab-stop:2.0in;
     1353        mso-level-number-position:left;
     1354        text-indent:-.25in;
     1355        mso-ansi-font-size:10.0pt;
     1356        font-family:Wingdings;}
     1357@list l0:level5
     1358        {mso-level-number-format:bullet;
     1359        mso-level-text:;
     1360        mso-level-tab-stop:2.5in;
     1361        mso-level-number-position:left;
     1362        text-indent:-.25in;
     1363        mso-ansi-font-size:10.0pt;
     1364        font-family:Wingdings;}
     1365@list l0:level6
     1366        {mso-level-number-format:bullet;
     1367        mso-level-text:;
     1368        mso-level-tab-stop:3.0in;
     1369        mso-level-number-position:left;
     1370        text-indent:-.25in;
     1371        mso-ansi-font-size:10.0pt;
     1372        font-family:Wingdings;}
     1373@list l0:level7
     1374        {mso-level-number-format:bullet;
     1375        mso-level-text:;
     1376        mso-level-tab-stop:3.5in;
     1377        mso-level-number-position:left;
     1378        text-indent:-.25in;
     1379        mso-ansi-font-size:10.0pt;
     1380        font-family:Wingdings;}
     1381@list l0:level8
     1382        {mso-level-number-format:bullet;
     1383        mso-level-text:;
     1384        mso-level-tab-stop:4.0in;
     1385        mso-level-number-position:left;
     1386        text-indent:-.25in;
     1387        mso-ansi-font-size:10.0pt;
     1388        font-family:Wingdings;}
     1389@list l0:level9
     1390        {mso-level-number-format:bullet;
     1391        mso-level-text:;
     1392        mso-level-tab-stop:4.5in;
     1393        mso-level-number-position:left;
     1394        text-indent:-.25in;
     1395        mso-ansi-font-size:10.0pt;
     1396        font-family:Wingdings;}
     1397@list l1
     1398        {mso-list-id:226457878;
     1399        mso-list-template-ids:29386160;}
    13851400@list l1:level1
    13861401        {mso-level-number-format:bullet;
     
    14571472        font-family:Wingdings;}
    14581473@list l2
    1459         {mso-list-id:226457878;
    1460         mso-list-template-ids:29386160;}
     1474        {mso-list-id:403112385;
     1475        mso-list-template-ids:-211009252;}
    14611476@list l2:level1
    14621477        {mso-level-number-format:bullet;
     
    15721587        text-indent:-.25in;}
    15731588@list l4
     1589        {mso-list-id:734669460;
     1590        mso-list-type:hybrid;
     1591        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1592@list l4:level1
     1593        {mso-level-tab-stop:none;
     1594        mso-level-number-position:left;
     1595        text-indent:-.25in;}
     1596@list l4:level2
     1597        {mso-level-tab-stop:1.0in;
     1598        mso-level-number-position:left;
     1599        text-indent:-.25in;}
     1600@list l4:level3
     1601        {mso-level-tab-stop:1.5in;
     1602        mso-level-number-position:left;
     1603        text-indent:-.25in;}
     1604@list l4:level4
     1605        {mso-level-tab-stop:2.0in;
     1606        mso-level-number-position:left;
     1607        text-indent:-.25in;}
     1608@list l4:level5
     1609        {mso-level-tab-stop:2.5in;
     1610        mso-level-number-position:left;
     1611        text-indent:-.25in;}
     1612@list l4:level6
     1613        {mso-level-tab-stop:3.0in;
     1614        mso-level-number-position:left;
     1615        text-indent:-.25in;}
     1616@list l4:level7
     1617        {mso-level-tab-stop:3.5in;
     1618        mso-level-number-position:left;
     1619        text-indent:-.25in;}
     1620@list l4:level8
     1621        {mso-level-tab-stop:4.0in;
     1622        mso-level-number-position:left;
     1623        text-indent:-.25in;}
     1624@list l4:level9
     1625        {mso-level-tab-stop:4.5in;
     1626        mso-level-number-position:left;
     1627        text-indent:-.25in;}
     1628@list l5
    15741629        {mso-list-id:850026630;
    15751630        mso-list-type:hybrid;
    15761631        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1577 @list l4:level1
     1632@list l5:level1
    15781633        {mso-level-tab-stop:none;
    15791634        mso-level-number-position:left;
    15801635        text-indent:-.25in;}
    1581 @list l4:level2
     1636@list l5:level2
    15821637        {mso-level-number-format:alpha-lower;
    15831638        mso-level-tab-stop:none;
    15841639        mso-level-number-position:left;
    15851640        text-indent:-.25in;}
    1586 @list l4:level3
     1641@list l5:level3
    15871642        {mso-level-tab-stop:1.5in;
    15881643        mso-level-number-position:left;
    15891644        text-indent:-.25in;}
    1590 @list l4:level4
     1645@list l5:level4
    15911646        {mso-level-tab-stop:2.0in;
    15921647        mso-level-number-position:left;
    15931648        text-indent:-.25in;}
    1594 @list l4:level5
     1649@list l5:level5
    15951650        {mso-level-tab-stop:2.5in;
    15961651        mso-level-number-position:left;
    15971652        text-indent:-.25in;}
    1598 @list l4:level6
     1653@list l5:level6
    15991654        {mso-level-tab-stop:3.0in;
    16001655        mso-level-number-position:left;
    16011656        text-indent:-.25in;}
    1602 @list l4:level7
     1657@list l5:level7
    16031658        {mso-level-tab-stop:3.5in;
    16041659        mso-level-number-position:left;
    16051660        text-indent:-.25in;}
    1606 @list l4:level8
     1661@list l5:level8
    16071662        {mso-level-tab-stop:4.0in;
    16081663        mso-level-number-position:left;
    16091664        text-indent:-.25in;}
    1610 @list l4:level9
     1665@list l5:level9
    16111666        {mso-level-tab-stop:4.5in;
    16121667        mso-level-number-position:left;
    16131668        text-indent:-.25in;}
    1614 @list l5
     1669@list l6
    16151670        {mso-list-id:1345286479;
    16161671        mso-list-template-ids:1682236840;}
    1617 @list l5:level1
     1672@list l6:level1
    16181673        {mso-level-tab-stop:.5in;
    16191674        mso-level-number-position:left;
    16201675        text-indent:-.25in;}
    1621 @list l5:level2
     1676@list l6:level2
    16221677        {mso-level-number-format:bullet;
    16231678        mso-level-text:o;
     
    16281683        font-family:"Courier New";
    16291684        mso-bidi-font-family:"Times New Roman";}
    1630 @list l5:level3
     1685@list l6:level3
    16311686        {mso-level-tab-stop:1.5in;
    16321687        mso-level-number-position:left;
    16331688        text-indent:-.25in;}
    1634 @list l5:level4
     1689@list l6:level4
    16351690        {mso-level-tab-stop:2.0in;
    16361691        mso-level-number-position:left;
    16371692        text-indent:-.25in;}
    1638 @list l5:level5
     1693@list l6:level5
    16391694        {mso-level-tab-stop:2.5in;
    16401695        mso-level-number-position:left;
    16411696        text-indent:-.25in;}
    1642 @list l5:level6
     1697@list l6:level6
    16431698        {mso-level-tab-stop:3.0in;
    16441699        mso-level-number-position:left;
    16451700        text-indent:-.25in;}
    1646 @list l5:level7
     1701@list l6:level7
    16471702        {mso-level-tab-stop:3.5in;
    16481703        mso-level-number-position:left;
    16491704        text-indent:-.25in;}
    1650 @list l5:level8
     1705@list l6:level8
    16511706        {mso-level-tab-stop:4.0in;
    16521707        mso-level-number-position:left;
    16531708        text-indent:-.25in;}
    1654 @list l5:level9
     1709@list l6:level9
    16551710        {mso-level-tab-stop:4.5in;
    16561711        mso-level-number-position:left;
    16571712        text-indent:-.25in;}
    1658 @list l6
     1713@list l7
     1714        {mso-list-id:1394309879;
     1715        mso-list-template-ids:326264828;}
     1716@list l7:level1
     1717        {mso-level-tab-stop:none;
     1718        mso-level-number-position:left;
     1719        text-indent:-.25in;}
     1720@list l7:level2
     1721        {mso-level-number-format:alpha-lower;
     1722        mso-level-tab-stop:1.0in;
     1723        mso-level-number-position:left;
     1724        text-indent:-.25in;
     1725        mso-ansi-font-size:12.0pt;
     1726        font-family:"Times New Roman",serif;
     1727        mso-ansi-font-weight:normal;
     1728        mso-ansi-font-style:normal;}
     1729@list l7:level3
     1730        {mso-level-tab-stop:1.5in;
     1731        mso-level-number-position:left;
     1732        text-indent:-.25in;}
     1733@list l7:level4
     1734        {mso-level-number-format:alpha-lower;
     1735        mso-level-tab-stop:2.0in;
     1736        mso-level-number-position:left;
     1737        text-indent:-.25in;}
     1738@list l7:level5
     1739        {mso-level-tab-stop:2.5in;
     1740        mso-level-number-position:left;
     1741        text-indent:-.25in;}
     1742@list l7:level6
     1743        {mso-level-tab-stop:3.0in;
     1744        mso-level-number-position:left;
     1745        text-indent:-.25in;}
     1746@list l7:level7
     1747        {mso-level-tab-stop:3.5in;
     1748        mso-level-number-position:left;
     1749        text-indent:-.25in;}
     1750@list l7:level8
     1751        {mso-level-tab-stop:4.0in;
     1752        mso-level-number-position:left;
     1753        text-indent:-.25in;}
     1754@list l7:level9
     1755        {mso-level-tab-stop:4.5in;
     1756        mso-level-number-position:left;
     1757        text-indent:-.25in;}
     1758@list l8
    16591759        {mso-list-id:1580553544;
    16601760        mso-list-template-ids:-615735862;}
    1661 @list l6:level1
     1761@list l8:level1
    16621762        {mso-level-tab-stop:.5in;
    16631763        mso-level-number-position:left;
    16641764        text-indent:-.25in;}
    1665 @list l6:level2
     1765@list l8:level2
    16661766        {mso-level-tab-stop:1.0in;
    16671767        mso-level-number-position:left;
    16681768        text-indent:-.25in;}
    1669 @list l6:level3
     1769@list l8:level3
    16701770        {mso-level-tab-stop:1.5in;
    16711771        mso-level-number-position:left;
    16721772        text-indent:-.25in;}
    1673 @list l6:level4
     1773@list l8:level4
    16741774        {mso-level-tab-stop:2.0in;
    16751775        mso-level-number-position:left;
    16761776        text-indent:-.25in;}
    1677 @list l6:level5
     1777@list l8:level5
    16781778        {mso-level-tab-stop:2.5in;
    16791779        mso-level-number-position:left;
    16801780        text-indent:-.25in;}
    1681 @list l6:level6
     1781@list l8:level6
    16821782        {mso-level-tab-stop:3.0in;
    16831783        mso-level-number-position:left;
    16841784        text-indent:-.25in;}
    1685 @list l6:level7
     1785@list l8:level7
    16861786        {mso-level-tab-stop:3.5in;
    16871787        mso-level-number-position:left;
    16881788        text-indent:-.25in;}
    1689 @list l6:level8
     1789@list l8:level8
    16901790        {mso-level-tab-stop:4.0in;
    16911791        mso-level-number-position:left;
    16921792        text-indent:-.25in;}
    1693 @list l6:level9
     1793@list l8:level9
    16941794        {mso-level-tab-stop:4.5in;
    16951795        mso-level-number-position:left;
    16961796        text-indent:-.25in;}
    1697 @list l7
     1797@list l9
    16981798        {mso-list-id:1592473738;
    16991799        mso-list-template-ids:-2051508038;}
    1700 @list l7:level1
     1800@list l9:level1
    17011801        {mso-level-number-format:bullet;
    17021802        mso-level-text:;
     
    17061806        mso-ansi-font-size:10.0pt;
    17071807        font-family:Symbol;}
    1708 @list l7:level2
     1808@list l9:level2
    17091809        {mso-level-number-format:bullet;
    17101810        mso-level-text:o;
     
    17151815        font-family:"Courier New";
    17161816        mso-bidi-font-family:"Times New Roman";}
    1717 @list l7:level3
     1817@list l9:level3
    17181818        {mso-level-number-format:bullet;
    17191819        mso-level-text:;
     
    17231823        mso-ansi-font-size:10.0pt;
    17241824        font-family:Wingdings;}
    1725 @list l7:level4
     1825@list l9:level4
    17261826        {mso-level-number-format:bullet;
    17271827        mso-level-text:;
     
    17311831        mso-ansi-font-size:10.0pt;
    17321832        font-family:Wingdings;}
    1733 @list l7:level5
     1833@list l9:level5
    17341834        {mso-level-number-format:bullet;
    17351835        mso-level-text:;
     
    17391839        mso-ansi-font-size:10.0pt;
    17401840        font-family:Wingdings;}
    1741 @list l7:level6
     1841@list l9:level6
    17421842        {mso-level-number-format:bullet;
    17431843        mso-level-text:;
     
    17471847        mso-ansi-font-size:10.0pt;
    17481848        font-family:Wingdings;}
    1749 @list l7:level7
     1849@list l9:level7
    17501850        {mso-level-number-format:bullet;
    17511851        mso-level-text:;
     
    17551855        mso-ansi-font-size:10.0pt;
    17561856        font-family:Wingdings;}
    1757 @list l7:level8
     1857@list l9:level8
    17581858        {mso-level-number-format:bullet;
    17591859        mso-level-text:;
     
    17631863        mso-ansi-font-size:10.0pt;
    17641864        font-family:Wingdings;}
    1765 @list l7:level9
     1865@list l9:level9
    17661866        {mso-level-number-format:bullet;
    17671867        mso-level-text:;
     
    17711871        mso-ansi-font-size:10.0pt;
    17721872        font-family:Wingdings;}
    1773 @list l8
     1873@list l10
    17741874        {mso-list-id:1734962708;
    17751875        mso-list-template-ids:-2097672882;}
    1776 @list l8:level1
     1876@list l10:level1
    17771877        {mso-level-tab-stop:.5in;
    17781878        mso-level-number-position:left;
    17791879        text-indent:-.25in;}
    1780 @list l8:level2
     1880@list l10:level2
    17811881        {mso-level-number-format:bullet;
    17821882        mso-level-text:o;
     
    17871887        font-family:"Courier New";
    17881888        mso-bidi-font-family:"Times New Roman";}
    1789 @list l8:level3
     1889@list l10:level3
    17901890        {mso-level-tab-stop:1.5in;
    17911891        mso-level-number-position:left;
    17921892        text-indent:-.25in;}
    1793 @list l8:level4
     1893@list l10:level4
    17941894        {mso-level-tab-stop:2.0in;
    17951895        mso-level-number-position:left;
    17961896        text-indent:-.25in;}
    1797 @list l8:level5
     1897@list l10:level5
    17981898        {mso-level-tab-stop:2.5in;
    17991899        mso-level-number-position:left;
    18001900        text-indent:-.25in;}
    1801 @list l8:level6
     1901@list l10:level6
    18021902        {mso-level-tab-stop:3.0in;
    18031903        mso-level-number-position:left;
    18041904        text-indent:-.25in;}
    1805 @list l8:level7
     1905@list l10:level7
    18061906        {mso-level-tab-stop:3.5in;
    18071907        mso-level-number-position:left;
    18081908        text-indent:-.25in;}
    1809 @list l8:level8
     1909@list l10:level8
    18101910        {mso-level-tab-stop:4.0in;
    18111911        mso-level-number-position:left;
    18121912        text-indent:-.25in;}
    1813 @list l8:level9
     1913@list l10:level9
    18141914        {mso-level-tab-stop:4.5in;
    18151915        mso-level-number-position:left;
    18161916        text-indent:-.25in;}
    1817 @list l9
     1917@list l11
    18181918        {mso-list-id:1773695911;
    18191919        mso-list-type:hybrid;
    18201920        mso-list-template-ids:-1704541642 595615172 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1821 @list l9:level1
     1921@list l11:level1
    18221922        {mso-level-tab-stop:none;
    18231923        mso-level-number-position:left;
    18241924        margin-left:.75in;
    18251925        text-indent:-.25in;}
    1826 @list l9:level2
     1926@list l11:level2
    18271927        {mso-level-number-format:alpha-lower;
    18281928        mso-level-tab-stop:none;
     
    18301930        margin-left:1.25in;
    18311931        text-indent:-.25in;}
    1832 @list l9:level3
     1932@list l11:level3
    18331933        {mso-level-number-format:roman-lower;
    18341934        mso-level-tab-stop:none;
     
    18361936        margin-left:1.75in;
    18371937        text-indent:-9.0pt;}
    1838 @list l9:level4
     1938@list l11:level4
    18391939        {mso-level-tab-stop:none;
    18401940        mso-level-number-position:left;
    18411941        margin-left:2.25in;
    18421942        text-indent:-.25in;}
    1843 @list l9:level5
     1943@list l11:level5
    18441944        {mso-level-number-format:alpha-lower;
    18451945        mso-level-tab-stop:none;
     
    18471947        margin-left:2.75in;
    18481948        text-indent:-.25in;}
    1849 @list l9:level6
     1949@list l11:level6
    18501950        {mso-level-number-format:roman-lower;
    18511951        mso-level-tab-stop:none;
     
    18531953        margin-left:3.25in;
    18541954        text-indent:-9.0pt;}
    1855 @list l9:level7
     1955@list l11:level7
    18561956        {mso-level-tab-stop:none;
    18571957        mso-level-number-position:left;
    18581958        margin-left:3.75in;
    18591959        text-indent:-.25in;}
    1860 @list l9:level8
     1960@list l11:level8
    18611961        {mso-level-number-format:alpha-lower;
    18621962        mso-level-tab-stop:none;
     
    18641964        margin-left:4.25in;
    18651965        text-indent:-.25in;}
    1866 @list l9:level9
     1966@list l11:level9
    18671967        {mso-level-number-format:roman-lower;
    18681968        mso-level-tab-stop:none;
     
    18701970        margin-left:4.75in;
    18711971        text-indent:-9.0pt;}
    1872 @list l10
     1972@list l12
    18731973        {mso-list-id:1840269000;
    18741974        mso-list-type:hybrid;
    18751975        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1876 @list l10:level1
     1976@list l12:level1
    18771977        {mso-level-tab-stop:none;
    18781978        mso-level-number-position:left;
    18791979        text-indent:-.25in;}
    1880 @list l10:level2
     1980@list l12:level2
    18811981        {mso-level-number-format:alpha-lower;
    18821982        mso-level-tab-stop:none;
    18831983        mso-level-number-position:left;
    18841984        text-indent:-.25in;}
    1885 @list l10:level3
     1985@list l12:level3
    18861986        {mso-level-tab-stop:1.5in;
    18871987        mso-level-number-position:left;
    18881988        text-indent:-.25in;}
    1889 @list l10:level4
     1989@list l12:level4
    18901990        {mso-level-tab-stop:2.0in;
    18911991        mso-level-number-position:left;
    18921992        text-indent:-.25in;}
    1893 @list l10:level5
     1993@list l12:level5
    18941994        {mso-level-tab-stop:2.5in;
    18951995        mso-level-number-position:left;
    18961996        text-indent:-.25in;}
    1897 @list l10:level6
     1997@list l12:level6
    18981998        {mso-level-tab-stop:3.0in;
    18991999        mso-level-number-position:left;
    19002000        text-indent:-.25in;}
    1901 @list l10:level7
     2001@list l12:level7
    19022002        {mso-level-tab-stop:3.5in;
    19032003        mso-level-number-position:left;
    19042004        text-indent:-.25in;}
    1905 @list l10:level8
     2005@list l12:level8
    19062006        {mso-level-tab-stop:4.0in;
    19072007        mso-level-number-position:left;
    19082008        text-indent:-.25in;}
    1909 @list l10:level9
     2009@list l12:level9
    19102010        {mso-level-tab-stop:4.5in;
    19112011        mso-level-number-position:left;
    19122012        text-indent:-.25in;}
    1913 @list l11
     2013@list l13
    19142014        {mso-list-id:1949777749;
    19152015        mso-list-template-ids:-863108910;}
    1916 @list l11:level1
     2016@list l13:level1
    19172017        {mso-level-tab-stop:.5in;
    19182018        mso-level-number-position:left;
    19192019        text-indent:-.25in;}
    1920 @list l11:level2
     2020@list l13:level2
    19212021        {mso-level-tab-stop:1.0in;
    19222022        mso-level-number-position:left;
    19232023        text-indent:-.25in;}
    1924 @list l11:level3
     2024@list l13:level3
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    19262026        mso-level-number-position:left;
    19272027        text-indent:-.25in;}
    1928 @list l11:level4
     2028@list l13:level4
    19292029        {mso-level-tab-stop:2.0in;
    19302030        mso-level-number-position:left;
    19312031        text-indent:-.25in;}
    1932 @list l11:level5
     2032@list l13:level5
    19332033        {mso-level-tab-stop:2.5in;
    19342034        mso-level-number-position:left;
    19352035        text-indent:-.25in;}
    1936 @list l11:level6
     2036@list l13:level6
    19372037        {mso-level-tab-stop:3.0in;
    19382038        mso-level-number-position:left;
    19392039        text-indent:-.25in;}
    1940 @list l11:level7
     2040@list l13:level7
    19412041        {mso-level-tab-stop:3.5in;
    19422042        mso-level-number-position:left;
    19432043        text-indent:-.25in;}
    1944 @list l11:level8
     2044@list l13:level8
    19452045        {mso-level-tab-stop:4.0in;
    19462046        mso-level-number-position:left;
    19472047        text-indent:-.25in;}
    1948 @list l11:level9
     2048@list l13:level9
     2049        {mso-level-tab-stop:4.5in;
     2050        mso-level-number-position:left;
     2051        text-indent:-.25in;}
     2052@list l14
     2053        {mso-list-id:2021002967;
     2054        mso-list-template-ids:449459044;}
     2055@list l14:level1
     2056        {mso-level-tab-stop:.5in;
     2057        mso-level-number-position:left;
     2058        text-indent:-.25in;}
     2059@list l14:level2
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     2061        mso-level-number-position:left;
     2062        text-indent:-.25in;}
     2063@list l14:level3
     2064        {mso-level-tab-stop:1.5in;
     2065        mso-level-number-position:left;
     2066        text-indent:-.25in;}
     2067@list l14:level4
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     2069        mso-level-number-position:left;
     2070        text-indent:-.25in;}
     2071@list l14:level5
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     2073        mso-level-number-position:left;
     2074        text-indent:-.25in;}
     2075@list l14:level6
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     2077        mso-level-number-position:left;
     2078        text-indent:-.25in;}
     2079@list l14:level7
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     2081        mso-level-number-position:left;
     2082        text-indent:-.25in;}
     2083@list l14:level8
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     2085        mso-level-number-position:left;
     2086        text-indent:-.25in;}
     2087@list l14:level9
     2088        {mso-level-tab-stop:4.5in;
     2089        mso-level-number-position:left;
     2090        text-indent:-.25in;}
     2091@list l15
     2092        {mso-list-id:2095858496;
     2093        mso-list-type:hybrid;
     2094        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     2095@list l15:level1
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     2097        mso-level-number-position:left;
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     2099@list l15:level2
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     2101        mso-level-number-position:left;
     2102        text-indent:-.25in;}
     2103@list l15:level3
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     2106        text-indent:-.25in;}
     2107@list l15:level4
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     2109        mso-level-number-position:left;
     2110        text-indent:-.25in;}
     2111@list l15:level5
     2112        {mso-level-tab-stop:2.5in;
     2113        mso-level-number-position:left;
     2114        text-indent:-.25in;}
     2115@list l15:level6
     2116        {mso-level-tab-stop:3.0in;
     2117        mso-level-number-position:left;
     2118        text-indent:-.25in;}
     2119@list l15:level7
     2120        {mso-level-tab-stop:3.5in;
     2121        mso-level-number-position:left;
     2122        text-indent:-.25in;}
     2123@list l15:level8
     2124        {mso-level-tab-stop:4.0in;
     2125        mso-level-number-position:left;
     2126        text-indent:-.25in;}
     2127@list l15:level9
    19492128        {mso-level-tab-stop:4.5in;
    19502129        mso-level-number-position:left;
     
    20752254<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    20762255"Times New Roman"'>The data tree shows contents of a GSAS-II project (which can
    2077 be read or saved as a .<span class=SpellE>gpx</span> file) in a hierarchical
    2078 view. Clicking on any item in the tree opens that information on the right side
    2079 of the window in the &quot;Data Editing&quot; section, where information in
    2080 that item can be viewed or edited. For example, the <a
    2081 href="gsasII-pwdr.html#PWDR_Sample_Parameters">&quot;Sample Parameters&quot;</a>
    2082 item under a ‘PWDR’ entry contains information about how data were collected,
    2083 such as the sample temperature <a href="gsasII-pwdr.html#PWDR_Sample_Parameters">(see
    2084 below)</a>. The arrow keys (up &amp; down) move the selection to successive
    2085 entries in the data tree; both the data window and the associated plot (if any)
    2086 will change.<o:p></o:p></span></p>
     2256be read or saved as a .gpx file) in a hierarchical view. Clicking on any item
     2257in the tree opens that information on the right side of the window in the
     2258&quot;Data Editing&quot; section, where information in that item can be viewed
     2259or edited. For example, the <a href="gsasII-pwdr.html#PWDR_Sample_Parameters">&quot;Sample
     2260Parameters&quot;</a> item under a ‘PWDR’ entry contains information about how
     2261data were collected, such as the sample temperature <a
     2262href="gsasII-pwdr.html#PWDR_Sample_Parameters">(see below)</a>. The arrow keys
     2263(up &amp; down) move the selection to successive entries in the data tree; both
     2264the data window and the associated plot (if any) will change.<o:p></o:p></span></p>
    20872265
    20882266<h4 style='margin-left:.5in'><span style='mso-fareast-font-family:"Times New Roman"'>What
     
    21452323
    21462324<p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><img
    2147 border=0 width=727 height=55 id="_x0000_i1076" src=graphbar.jpg
     2325border=0 width=727 height=55 id="_x0000_i1089" src=graphbar.jpg
    21482326alt="toolbar on plots"></span></p>
    21492327
     
    23062484
    23072485<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2308 "Times New Roman"'>Open a previously saved GSAS-II project file ({project}.<span
    2309 class=SpellE>gpx</span>). If you currently have a project file open, you are
    2310 asked if it is OK to overwrite it; Cancel will cancel the read process. <o:p></o:p></span></p>
     2486"Times New Roman"'>Open a previously saved GSAS-II project file
     2487({project}.gpx). If you currently have a project file open, you are asked if it
     2488is OK to overwrite it; Cancel will cancel the read process. <o:p></o:p></span></p>
    23112489
    23122490<p style='margin-left:.9in'>Note that as files are saved, copies of the
    2313 previous version are saved as backup files, named as {project}.<span
    2314 class=SpellE>bak</span>{<span class=SpellE><i>i</i></span>}.<span class=SpellE>gpx</span>,
    2315 where <span class=SpellE><i>i</i></span> starts as 0 and is increased after
    2316 each save operation. NB: you may open a backup .<span class=SpellE>gpx</span>
    2317 file (e.g. name.bak3.gpx) to return to a previous version of your project, but
    2318 if you do so, it is best to immediately use the <b'>Save As... menu command
    2319 (you may wish to use <span class=SpellE>name.gpx</span> to overwrite the
    2320 current version or select a new name.) If you forget specify a project name,
    2321 then name.bak3 will be considered the project name and backups will then be
    2322 named name.bak3.bak0.gpx, etc.</p>
     2491previous version are saved as backup files, named as {project}.bak{<i>i</i>}.gpx,
     2492where <i>i</i> starts as 0 and is increased after each save operation. NB: you
     2493may open a backup .gpx file (e.g. name.bak3.gpx) to return to a previous
     2494version of your project, but if you do so, it is best to immediately use the <b'>Save
     2495As... menu command (you may wish to use name.gpx to overwrite the current
     2496version or select a new name.) If you forget specify a project name, then
     2497name.bak3 will be considered the project name and backups will then be named
     2498name.bak3.bak0.gpx, etc.</p>
    23232499
    23242500<p class=MsoNormal style='margin-left:.7in'><b><span style='mso-fareast-font-family:
     
    24412617
    24422618<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2443 "Times New Roman"'>This will remove an item from the data tree. A dialog box
    2444 with a list of choices for histograms is presented. Be sure to remove a
    2445 histograms from all phases before deleting it from the tree. <o:p></o:p></span></p>
     2619"Times New Roman"'>This will remove an item from the data tree. A dialog box with
     2620a list of choices for histograms is presented. Be sure to remove a histograms
     2621from all phases before deleting it from the tree. <o:p></o:p></span></p>
    24462622
    24472623<p class=MsoNormal style='margin-left:.7in'><b><span style='mso-fareast-font-family:
     
    24802656
    24812657<p class=MsoNormal style='margin-left:.7in'><b><span style='mso-fareast-font-family:
    2482 "Times New Roman"'>View LS <span class=SpellE>parms</span></span></b><span
    2483 style='mso-fareast-font-family:"Times New Roman"'> <o:p></o:p></span></p>
     2658"Times New Roman"'>View LS parms</span></b><span style='mso-fareast-font-family:
     2659"Times New Roman"'> <o:p></o:p></span></p>
    24842660
    24852661<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    24882664indicate parameters that are not refinable. The total number of refined
    24892665parameters is also shown at the top of the list. The value of each parameter is
    2490 also given. The parameter names are of the form ‘<span class=SpellE>p:h:name:id</span>’
    2491 where ‘p’ is the phase index, ‘h’ is the histogram index and ‘id’ is the item
    2492 index (if needed). Indexes all begin with ‘0’ (zero). <o:p></o:p></span></p>
     2666also given. The parameter names are of the form ‘p:h:name:id’ where ‘p’ is the
     2667phase index, ‘h’ is the histogram index and ‘id’ is the item index (if needed).
     2668Indexes all begin with ‘0’ (zero). <o:p></o:p></span></p>
    24932669
    24942670<p style='margin-left:.9in'>Note that for atom positions, the coordinate values
    2495 (named as ‘p::<span class=SpellE>A<i>w</i>:n</span>’, where p is the phase
    2496 number, n is the atom number and <i>w</i> is x, y or z) is not a refinable
    2497 parameter, but the shift in the value is. The refined parameters are ‘p::<span
    2498 class=SpellE>A<i>w</i>:n</span>’. The reason this is done is that by treating
    2499 an atom position as <span class=SpellE>x+dx,y+dy,z+dz</span> where the “d”
    2500 values indicate shifts from the starting position and the shifts are refined
    2501 rather than the <span class=SpellE>x,y</span>, or z values is that this
    2502 simplifies symmetry constraints. As an example, suppose we have an atom on a
    2503 symmetry constrained site, x,1/2-x,z. The process needed to define this
    2504 constraint, so that if x moves positively y has to move negatively by the same
    2505 amount would be messy. With refinement of shifts, all we need to do is
    2506 constrain <span class=SpellE>dy</span> (‘0::<span class=SpellE>dAy:n</span>’)
    2507 to be equal to -dx (-1*‘0::<span class=SpellE>dAx:n</span>’). </p>
     2671(named as ‘p::A<i>w</i>:n’, where p is the phase number, n is the atom number
     2672and <i>w</i> is x, y or z) is not a refinable parameter, but the shift in the
     2673value is. The refined parameters are ‘p::A<i>w</i>:n’. The reason this is done
     2674is that by treating an atom position as x+dx,y+dy,z+dz where the “d” values
     2675indicate shifts from the starting position and the shifts are refined rather
     2676than the x,y, or z values is that this simplifies symmetry constraints. As an
     2677example, suppose we have an atom on a symmetry constrained site, x,1/2-x,z. The
     2678process needed to define this constraint, so that if x moves positively y has
     2679to move negatively by the same amount would be messy. With refinement of
     2680shifts, all we need to do is constrain dy (‘0::dAy:n’) to be equal to -dx
     2681(-1*‘0::dAx:n’). </p>
    25082682
    25092683<p style='margin-left:.9in'>Press the window exit button to exit this dialog
     
    25292703<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><span
    25302704style='mso-tab-count:1'>            </span><span style='mso-spacerun:yes'>    
    2531 </span><b>Run <span class=SpellE>Fprime</span><o:p></o:p></b></span></p>
     2705</span><b>Run Fprime<o:p></o:p></b></span></p>
    25322706
    25332707<p class=MsoNormal style='margin-left:67.5pt'><span style='mso-fareast-font-family:
    2534 "Times New Roman"'>This run the utility routine <span class=SpellE>Fprime</span>
    2535 that displays real and imaginary components of the x-ray form factors for user
    2536 selected elements as a function of wavelength/energy. Allows an informed choice
    2537 of wavelength for resonant x-ray scattering experiments<o:p></o:p></span></p>
     2708"Times New Roman"'>This run the utility routine Fprime that displays real and
     2709imaginary components of the x-ray form factors for user selected elements as a
     2710function of wavelength/energy. Allows an informed choice of wavelength for
     2711resonant x-ray scattering experiments<o:p></o:p></span></p>
    25382712
    25392713<p class=MsoNormal style='margin-left:.75in'><b><span style='mso-fareast-font-family:
     
    25462720
    25472721<p class=MsoNormal style='margin-left:.75in'><b><span style='mso-fareast-font-family:
    2548 "Times New Roman"'>Run <span class=SpellE>PlotXNFF</span><o:p></o:p></span></b></p>
     2722"Times New Roman"'>Run PlotXNFF<o:p></o:p></span></b></p>
    25492723
    25502724<p class=MsoNormal style='margin-left:1.0in'><span style='mso-fareast-font-family:
    2551 "Times New Roman"'>This runs the utility routine <span class=SpellE>PlotXNFF</span>
    2552 which displays resonant (if any) neutron scattering lengths for all isotopes of
    2553 a selected element. It also displays the x-ray and magnetic neutron form
    2554 factors for all valences (if any) for this element.<o:p></o:p></span></p>
     2725"Times New Roman"'>This runs the utility routine PlotXNFF which displays
     2726resonant (if any) neutron scattering lengths for all isotopes of a selected
     2727element. It also displays the x-ray and magnetic neutron form factors for all
     2728valences (if any) for this element.<o:p></o:p></span></p>
    25552729
    25562730<ol start=4 type=1>
     
    26002774
    26012775<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    2602 "Times New Roman"'>This reads one phase from a (old) GSAS experiment file (<span
    2603 class=SpellE>name.EXP</span>). The file name is found in a directory dialog;
    2604 you can change directories as needed. Only .EXP (or .exp) file names are shown.
    2605 If the selected file has more than one phase, a dialog is shown with the
    2606 choices; only one can be chosen. If you want more than one, redo this command.
    2607 After selecting a phase, a dialog box is shown with the proposed phase name.
    2608 You can change it if desired. <o:p></o:p></span></p>
     2776"Times New Roman"'>This reads one phase from a (old) GSAS experiment file
     2777(name.EXP). The file name is found in a directory dialog; you can change
     2778directories as needed. Only .EXP (or .exp) file names are shown. If the
     2779selected file has more than one phase, a dialog is shown with the choices; only
     2780one can be chosen. If you want more than one, redo this command. After
     2781selecting a phase, a dialog box is shown with the proposed phase name. You can
     2782change it if desired. <o:p></o:p></span></p>
    26092783
    26102784<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    26132787<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    26142788"Times New Roman"'>This reads the macromolecular phase information from a
    2615 Protein Data Base file (name.PDB or <span class=SpellE>name.ENT</span>). The
    2616 file name is found in a directory dialog; you can change directories as needed.
    2617 Only .PDB (or .<span class=SpellE>pdb</span>) or .ENT (or .<span class=SpellE>ent</span>)
    2618 file names are shown. Be careful that the space group symbol on the ‘CRYST1’
    2619 record in the PDB file follows the GSAS-II conventions (e.g. with spaces
    2620 between axial fields). A dialog box is shown with the proposed phase name. You
    2621 can change it if desired. <o:p></o:p></span></p>
     2789Protein Data Base file (name.PDB or name.ENT). The file name is found in a
     2790directory dialog; you can change directories as needed. Only .PDB (or .pdb) or
     2791.ENT (or .ent) file names are shown. Be careful that the space group symbol on
     2792the ‘CRYST1’ record in the PDB file follows the GSAS-II conventions (e.g. with
     2793spaces between axial fields). A dialog box is shown with the proposed phase
     2794name. You can change it if desired. <o:p></o:p></span></p>
    26222795
    26232796<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    26262799<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    26272800"Times New Roman"'>This reads one phase from a Crystallographic Information
    2628 File ({name}.CIF (or .<span class=SpellE>cif</span>). The file name is found in
    2629 a directory dialog; you can change directories as needed. If the selected file
    2630 has more than one phase, a dialog is shown with the choices; only one can be
    2631 chosen. If you want more than one, redo this command. After selecting a phase,
    2632 a dialog box is shown with the proposed phase name. You can change it if
    2633 desired. <o:p></o:p></span></p>
     2801File ({name}.CIF (or .cif). The file name is found in a directory dialog; you
     2802can change directories as needed. If the selected file has more than one phase,
     2803a dialog is shown with the choices; only one can be chosen. If you want more
     2804than one, redo this command. After selecting a phase, a dialog box is shown
     2805with the proposed phase name. You can change it if desired. <o:p></o:p></span></p>
    26342806
    26352807<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2636 "Times New Roman"'>GSAS-II .<span class=SpellE>gpx</span> file <o:p></o:p></span></p>
     2808"Times New Roman"'>GSAS-II .gpx file <o:p></o:p></span></p>
    26372809
    26382810<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    2639 "Times New Roman"'>This reads one phase from a GSAS-II project file ({name}.<span
    2640 class=SpellE>gpx</span>). The file name is found in a directory dialog; you can
    2641 change directories as needed. If the selected file has more than one phase, a
    2642 dialog is shown with the choices; If you want more than one, redo this command.
    2643 After selecting a phase, a dialog box is shown with the proposed phase name.
    2644 You can change it if desired. <o:p></o:p></span></p>
     2811"Times New Roman"'>This reads one phase from a GSAS-II project file
     2812({name}.gpx). The file name is found in a directory dialog; you can change
     2813directories as needed. If the selected file has more than one phase, a dialog
     2814is shown with the choices; If you want more than one, redo this command. After
     2815selecting a phase, a dialog box is shown with the proposed phase name. You can
     2816change it if desired. <o:p></o:p></span></p>
    26452817
    26462818<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    26632835calibration constants (such as wavelength) and default profile parameters are
    26642836read from a separate file, either a (old) GSAS instrument parameter file
    2665 (usually .<span class=SpellE>prm</span>, .ins or .<span class=SpellE>inst</span>
    2666 extension) or a new GSAS-II .<span class=SpellE>instparm</span> file. <o:p></o:p></span></p>
     2837(usually .prm, .ins or .inst extension) or a new GSAS-II .instparm file. <o:p></o:p></span></p>
    26672838
    26682839<p style='margin-left:.9in'>Note that it is possible to apply corrections to
    26692840the 2-theta, intensity or weight values by adding a Python command(s) to the
    2670 instrument (.<span class=SpellE>instprm</span>) parameter with a variable named
    2671 <span class=SpellE>CorrectionCode</span>. See the <span class=SpellE><tt><span
    2672 style='font-size:10.0pt'>CorrectionCode.instprm.sample</span></tt></span> file
     2841instrument (.instprm) parameter with a variable named CorrectionCode. See the <tt><span
     2842style='font-size:10.0pt'>CorrectionCode.instprm.sample</span></tt> file
    26732843provided in the GSAS-II source directory for an example of how this is done. </p>
    26742844
     
    26782848<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    26792849"Times New Roman"'>This reads one powder pattern (histogram) from a
    2680 Crystallographic Information File ({name}.CIF). The file name is found in a directory
    2681 dialog; you can change directories as needed. Only one .<span class=SpellE>cif</span>
    2682 can be chosen. If you want more than one, redo this command. <o:p></o:p></span></p>
     2850Crystallographic Information File ({name}.CIF). The file name is found in a
     2851directory dialog; you can change directories as needed. Only one .cif can be
     2852chosen. If you want more than one, redo this command. <o:p></o:p></span></p>
    26832853
    26842854<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2685 "Times New Roman"'>GSAS-II .<span class=SpellE>gpx</span> file <o:p></o:p></span></p>
     2855"Times New Roman"'>GSAS-II .gpx file <o:p></o:p></span></p>
    26862856
    26872857<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    26882858"Times New Roman"'>This reads powder patterns from a previously created GSAS-II
    2689 <span class=SpellE>gpx</span> project file. If the selected file has more than
    2690 one powder pattern, a dialog is shown with the choices; one or more can be
    2691 selected. It will ask for an appropriate instrument parameter file to go with
    2692 the selected powder data sets. <o:p></o:p></span></p>
     2859gpx project file. If the selected file has more than one powder pattern, a
     2860dialog is shown with the choices; one or more can be selected. It will ask for
     2861an appropriate instrument parameter file to go with the selected powder data
     2862sets. <o:p></o:p></span></p>
    26932863
    26942864<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2695 "Times New Roman"'>GSAS .<span class=SpellE>fxye</span> files <o:p></o:p></span></p>
     2865"Times New Roman"'>GSAS .fxye files <o:p></o:p></span></p>
    26962866
    26972867<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
     
    27042874
    27052875<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    2706 "Times New Roman"'>TOPAS .<span class=SpellE>xye</span> files. <o:p></o:p></span></p>
     2876"Times New Roman"'>TOPAS .xye files. <o:p></o:p></span></p>
    27072877
    27082878<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
     
    28513021  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    28523022  padding:0in 5.4pt 0in 5.4pt'>
    2853   <p class=MsoNormal><span class=SpellE><span style='mso-bidi-font-family:Calibri;
    2854   mso-bidi-theme-font:minor-latin'>soller_angle</span></span><span
    2855   style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3023  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     3024  minor-latin'>soller_angle<o:p></o:p></span></p>
    28563025  </td>
    28573026  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    28673036  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    28683037  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    2869   minor-latin'>Angular limit for divergence in equatorial plane as limited by <span
    2870   class=SpellE>Soller</span> collimator(s)<o:p></o:p></span></p>
     3038  minor-latin'>Angular limit for divergence in equatorial plane as limited by
     3039  Soller collimator(s)<o:p></o:p></span></p>
    28713040  </td>
    28723041 </tr>
     
    28983067  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    28993068  padding:0in 5.4pt 0in 5.4pt'>
    2900   <p class=MsoNormal><span class=SpellE><span style='mso-bidi-font-family:Calibri;
    2901   mso-bidi-theme-font:minor-latin'>filament_length</span></span><span
    2902   style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3069  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     3070  minor-latin'>filament_length<o:p></o:p></span></p>
    29033071  </td>
    29043072  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    29223090  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    29233091  padding:0in 5.4pt 0in 5.4pt'>
    2924   <p class=MsoNormal><span class=SpellE><span style='mso-bidi-font-family:Calibri;
    2925   mso-bidi-theme-font:minor-latin'>sample_length</span></span><span
    2926   style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3092  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     3093  minor-latin'>sample_length<o:p></o:p></span></p>
    29273094  </td>
    29283095  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    29403107  minor-latin'>Illuminated sample length in axial direction. <span class=grame><span
    29413108  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Typically</span></span>
    2942   the same as <span class=SpellE>filament_length</span>.<o:p></o:p></span></p>
     3109  the same as filament_length.<o:p></o:p></span></p>
    29433110  </td>
    29443111 </tr>
     
    29473114  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    29483115  padding:0in 5.4pt 0in 5.4pt'>
    2949   <p class=MsoNormal><span class=SpellE><span style='mso-bidi-font-family:Calibri;
    2950   mso-bidi-theme-font:minor-latin'>receiving_slit_length</span></span><span
    2951   style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3116  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     3117  minor-latin'>receiving_slit_length<o:p></o:p></span></p>
    29523118  </td>
    29533119  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    29653131  minor-latin'>Length of the receiving slit in axial direction. <span
    29663132  class=grame><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    2967   minor-latin'>Typically</span></span> the same as <span class=SpellE>filament_length</span>.<o:p></o:p></span></p>
     3133  minor-latin'>Typically</span></span> the same as filament_length.<o:p></o:p></span></p>
    29683134  </td>
    29693135 </tr>
     
    29723138  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    29733139  padding:0in 5.4pt 0in 5.4pt'>
    2974   <p class=MsoNormal><span class=SpellE><span style='mso-bidi-font-family:Calibri;
    2975   mso-bidi-theme-font:minor-latin'>LAC_cm</span></span><span style='mso-bidi-font-family:
    2976   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3140  <p class=MsoNormal><span style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     3141  minor-latin'>LAC_cm<o:p></o:p></span></p>
    29773142  </td>
    29783143  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    29973162  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    29983163  padding:0in 5.4pt 0in 5.4pt'>
    2999   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3000   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3001   color:black'>sample_thickness</span></span><span style='mso-bidi-font-family:
    3002   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3164  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3165  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>sample_thickness</span><span
     3166  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    30033167  </td>
    30043168  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    30223186  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    30233187  padding:0in 5.4pt 0in 5.4pt'>
    3024   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3025   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3026   color:black'>convolution_steps</span></span><span style='mso-bidi-font-family:
    3027   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3188  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3189  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>convolution_steps</span><span
     3190  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    30283191  </td>
    30293192  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    30483211  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    30493212  padding:0in 5.4pt 0in 5.4pt'>
    3050   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3051   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3052   color:black'>source_width</span></span><span style='mso-bidi-font-family:
    3053   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3213  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3214  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>source_width</span><span
     3215  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    30543216  </td>
    30553217  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    30733235  padding:0in 5.4pt 0in 5.4pt'>
    30743236  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
    3075   mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-<span
    3076   class=SpellE>tails_L</span>-tail</span><span style='mso-bidi-font-family:
    3077   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3237  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-tails_L-tail</span><span
     3238  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    30783239  </td>
    30793240  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    30993260  padding:0in 5.4pt 0in 5.4pt'>
    31003261  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
    3101   mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-<span
    3102   class=SpellE>tails_R</span>-tail</span><span style='mso-bidi-font-family:
    3103   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3262  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-tails_R-tail</span><span
     3263  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    31043264  </td>
    31053265  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    31253285  padding:0in 5.4pt 0in 5.4pt'>
    31263286  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
    3127   mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-<span
    3128   class=SpellE>tails_rel</span>-I</span><span style='mso-bidi-font-family:Calibri;
    3129   mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3287  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>tube-tails_rel-I</span><span
     3288  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    31303289  </td>
    31313290  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    31503309  padding:0in 5.4pt 0in 5.4pt'>
    31513310  <p class=MsoNormal align=center style='text-align:center'><i><span
    3152   style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Point detector
    3153   parameter<o:p></o:p></span></i></p>
     3311  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Point
     3312  detector parameter<o:p></o:p></span></i></p>
    31543313  </td>
    31553314 </tr>
     
    31583317  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    31593318  padding:0in 5.4pt 0in 5.4pt'>
    3160   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3161   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3162   color:black'>receiving_slit_width</span></span><span style='mso-fareast-font-family:
    3163   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3164   color:black'><o:p></o:p></span></p>
     3319  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3320  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>receiving_slit_width<o:p></o:p></span></p>
    31653321  </td>
    31663322  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    32303386  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    32313387  padding:0in 5.4pt 0in 5.4pt'>
    3232   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3233   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3234   color:black'>src_mono_mm</span></span><span style='mso-fareast-font-family:
    3235   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3236   color:black'><o:p></o:p></span></p>
     3388  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3389  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>src_mono_mm<o:p></o:p></span></p>
    32373390  </td>
    32383391  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    32563409  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    32573410  padding:0in 5.4pt 0in 5.4pt'>
    3258   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3259   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3260   color:black'>focus_mono_mm</span></span><span style='mso-fareast-font-family:
    3261   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3262   color:black'><o:p></o:p></span></p>
     3411  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3412  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>focus_mono_mm<o:p></o:p></span></p>
    32633413  </td>
    32643414  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    32863436  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    32873437  padding:0in 5.4pt 0in 5.4pt'>
    3288   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3289   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3290   color:black'>passband_mistune</span></span><span style='mso-fareast-font-family:
    3291   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3292   color:black'><o:p></o:p></span></p>
     3438  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3439  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>passband_mistune<o:p></o:p></span></p>
    32933440  </td>
    32943441  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    33143461  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    33153462  padding:0in 5.4pt 0in 5.4pt'>
    3316   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3317   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3318   color:black'>mono_src_proj_mn</span></span><span style='mso-fareast-font-family:
    3319   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3320   color:black'><o:p></o:p></span></p>
     3463  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3464  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>mono_src_proj_mn<o:p></o:p></span></p>
    33213465  </td>
    33223466  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    33333477  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
    33343478  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>Bandwidth
    3335   setting for the monochromator as set by the projection width of the <span
    3336   class=SpellE>xray</span> source on the monochromator along beam direction and
    3337   in the equatorial plane</span><span style='mso-bidi-font-family:Calibri;
    3338   mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3479  setting for the monochromator as set by the projection width of the xray
     3480  source on the monochromator along beam direction and in the equatorial plane</span><span
     3481  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    33393482  </td>
    33403483 </tr>
     
    33433486  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    33443487  padding:0in 5.4pt 0in 5.4pt'>
    3345   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3346   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3347   color:black'>passband_shoulder</span></span><span style='mso-bidi-font-family:
    3348   Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
     3488  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3489  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>passband_shoulder</span><span
     3490  style='mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'><o:p></o:p></span></p>
    33493491  </td>
    33503492  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    33713513  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    33723514  padding:0in 5.4pt 0in 5.4pt'>
    3373   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3374   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3375   color:black'>two_theta_mono</span></span><span style='mso-fareast-font-family:
    3376   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3377   color:black'><o:p></o:p></span></p>
     3515  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3516  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>two_theta_mono<o:p></o:p></span></p>
    33783517  </td>
    33793518  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    33983537  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    33993538  padding:0in 5.4pt 0in 5.4pt'>
    3400   <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
    3401   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3402   color:black'>mono_slit_attenuation</span></span><span style='mso-fareast-font-family:
    3403   "Times New Roman";mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;
    3404   color:black'><o:p></o:p></span></p>
     3539  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
     3540  mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin;color:black'>mono_slit_attenuation<o:p></o:p></span></p>
    34053541  </td>
    34063542  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
     
    34473583<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    34483584"Times New Roman"'>This reads squared structure factors (as F**2) and sig(F**2)
    3449 from a SHELX format .<span class=SpellE>hkl</span> file. The file names are
    3450 found in a directory dialog; you can change directories as needed. You must
    3451 know the file contains structure factors (as F**2) as the file itself has no
    3452 internal indication of this. <o:p></o:p></span></p>
     3585from a SHELX format .hkl file. The file names are found in a directory dialog;
     3586you can change directories as needed. You must know the file contains structure
     3587factors (as F**2) as the file itself has no internal indication of this. <o:p></o:p></span></p>
    34533588
    34543589<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    34573592<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    34583593"Times New Roman"'>This reads structure factors (as F) and sig(F) from a SHELX
    3459 format .<span class=SpellE>hkl</span> file. The file names are found in a
    3460 directory dialog; you can change directories as needed. You must know the file
    3461 contains structure factors (as F values) as the file itself has no internal
    3462 indication of this. <o:p></o:p></span></p>
     3594format .hkl file. The file names are found in a directory dialog; you can
     3595change directories as needed. You must know the file contains structure factors
     3596(as F values) as the file itself has no internal indication of this. <o:p></o:p></span></p>
    34633597
    34643598<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    34673601<p class=MsoNormal style='margin-left:1.2in'><span style='mso-fareast-font-family:
    34683602"Times New Roman"'>This reads structure factors (as F**2 or F) and sig(F**2 or
    3469 F) from a .CIF (or .<span class=SpellE>cif</span>) or .FCF (or .<span
    3470 class=SpellE>fcf</span>) format file. The file names are found in a directory
    3471 dialog; you can change directories as needed. The internal structure of this
    3472 file indicates in which form the structure factors are used. <o:p></o:p></span></p>
     3603F) from a .CIF (or .cif) or .FCF (or .fcf) format file. The file names are
     3604found in a directory dialog; you can change directories as needed. The internal
     3605structure of this file indicates in which form the structure factors are used. <o:p></o:p></span></p>
    34733606
    34743607<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     
    34783611"Times New Roman"'>This attempts to read one data set from a file trying the
    34793612formats as described above. However, since it cannot be determined if SHELX
    3480 format .<span class=SpellE>hkl</span> <span class=SpellE>contaings</span> F or
    3481 F**2 values, do not use this command for those files. On occasion, this command
    3482 may not succeed in correctly determining a file format. If it fails, retry by
    3483 selecting the correct format from the list. <o:p></o:p></span></p>
     3613format .hkl contains F or F**2 values, do not use this command for those files.
     3614On occasion, this command may not succeed in correctly determining a file
     3615format. If it fails, retry by selecting the correct format from the list. <o:p></o:p></span></p>
    34843616
    34853617<p class=MsoNormal style='margin-left:.7in'><b><span style='mso-fareast-font-family:
     
    34883620
    34893621<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
    3490 "Times New Roman"'>Reads small angle scattering data from files. At present
    3491 these formats are not documented; See the importer routines (file </span><tt><span
    3492 style='font-size:10.0pt'>.../GSASII/imports/G2sad_xye.py</span></tt><span
    3493 style='mso-fareast-font-family:"Times New Roman"'>, <a
    3494 href="https://gsas-ii.readthedocs.io/en/latest/imports.html#small-angle-scattering-data-import-routines">documented
    3495 here</a>) for more details. <o:p></o:p></span></p>
     3622"Times New Roman"'>Reads small angle scattering data from files. Results are
     3623placed in the GSAS-II data tree as ‘SASD file name’. The data are in ‘QIE’ form
     3624as q-stepped data of intensities and optional sig(I) as 3 (or) 2 columns. Data
     3625may be preceded by comment records. Importers are for x-ray or neutron data with
     3626q in </span><span style='font-family:"Calibri",sans-serif;mso-fareast-font-family:
     3627"Times New Roman";mso-bidi-font-family:Calibri'>Å</span><sup><span
     3628style='mso-fareast-font-family:"Times New Roman"'>-1</span></sup><span
     3629style='mso-fareast-font-family:"Times New Roman"'> or nm<sup>-1</sup>; data
     3630will be stored in </span><span style='font-family:"Calibri",sans-serif;
     3631mso-fareast-font-family:"Times New Roman";mso-bidi-font-family:Calibri'>Å</span><sup><span
     3632style='mso-fareast-font-family:"Times New Roman"'>-1</span></sup><span
     3633style='mso-fareast-font-family:"Times New Roman"'>. The data type is either ‘LXC’
     3634or ‘LNC’<o:p></o:p></span></p>
     3635
     3636<p class=MsoNormal style='margin-left:49.5pt'><b><span style='mso-fareast-font-family:
     3637"Times New Roman"'>Reflectometry Data<o:p></o:p></span></b></p>
     3638
     3639<p class=MsoNormal style='margin-left:.9in'><span style='mso-fareast-font-family:
     3640"Times New Roman"'>Reads x-ray or neutron reflectometry data from files. Results
     3641are placed in the GSAS-II data tree as ‘REFD file name’. The data are in ‘QIE’
     3642form as q-stepped data of intensities and optional sig(I) as 3 (or) 2 columns.
     3643Data may be preceded by comment records. The data type is either ‘RXC’ or ‘RNC’.<o:p></o:p></span></p>
     3644
     3645<p class=MsoNormal style='margin-left:67.5pt'><span style='mso-fareast-font-family:
     3646"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
     3647
     3648<p class=MsoNormal style='margin-left:49.5pt'><b><span style='mso-fareast-font-family:
     3649"Times New Roman"'>Powder Peak Position Data<o:p></o:p></span></b></p>
     3650
     3651<p class=MsoNormal style='margin-left:67.5pt'><span style='mso-fareast-font-family:
     3652"Times New Roman"'>Reads ordered peak positions as 2</span><span
     3653style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3654"Times New Roman";mso-hansi-font-family:"Times New Roman";mso-char-type:symbol;
     3655mso-symbol-font-family:Symbol'><span style='mso-char-type:symbol;mso-symbol-font-family:
     3656Symbol'>Q</span></span><span style='mso-fareast-font-family:"Times New Roman"'>
     3657or d-spacing from .txt files. Results are placed in the GSAS-II data tree as ‘PKS
     3658file name’. The data format consists of optional comments (each line starts
     3659with ‘#’) followed by positions in a single column. If 1<sup>st</sup> position
     3660is larger than last, they are interpreted as d-spacings, otherwise as 2</span><span
     3661style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:
     3662"Times New Roman";mso-hansi-font-family:"Times New Roman";mso-char-type:symbol;
     3663mso-symbol-font-family:Symbol'><span style='mso-char-type:symbol;mso-symbol-font-family:
     3664Symbol'>Q</span></span><span style='mso-fareast-font-family:"Times New Roman"'>.
     3665A second column of intensities is optional.<o:p></o:p></span></p>
    34963666
    34973667<ol start=5 type=1>
     
    35023672</ol>
    35033673
    3504 <p style='margin-left:.5in'>GSAS-II uses separate routines to write out files with
    3505 information inside GSAS-II. These routines can be created and customized
     3674<p style='margin-left:.5in'>GSAS-II uses separate routines to write out files
     3675with information inside GSAS-II. These routines can be created and customized
    35063676easily. See the <a href="https://gsas-ii.readthedocs.io/en/latest/exports.html">GSAS-II
    35073677Export Modules section</a> of the <a href="#Programmers"><strong>Programmers
     
    36133783"Times New Roman"'>This window provides a place for you to enter whatever text
    36143784commentary you wish. Each time you enter this window, a date/time entry is
    3615 provided for you. A possibly useful technique is to select a portion of the <span
    3616 class=SpellE>project.lst</span> file after a refinement completes (it will
    3617 contain refinement results with residuals, new values &amp; <span class=SpellE>esds</span>)
    3618 and paste it into this Notebook window so it becomes a part of your project
    3619 file.</span> </p>
     3785provided for you. A possibly useful technique is to select a portion of the
     3786project.lst file after a refinement completes (it will contain refinement
     3787results with residuals, new values &amp; esds) and paste it into this Notebook
     3788window so it becomes a part of your project file.</span> </p>
    36203789
    36213790<h5 style='margin-left:.5in'><span style='mso-fareast-font-family:"Times New Roman"'>What
     
    36513820
    36523821<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3653 margin-left:1.0in;text-indent:-.25in;mso-list:l7 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
     3822margin-left:1.0in;text-indent:-.25in;mso-list:l9 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
    36543823style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    36553824mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    36643833
    36653834<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3666 margin-left:1.0in;text-indent:-.25in;mso-list:l7 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
     3835margin-left:1.0in;text-indent:-.25in;mso-list:l9 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
    36673836style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    36683837mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
    36693838style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    36703839</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>analytic
    3671 Jacobian: This uses a <span class=SpellE>numpy</span>-provided <span
    3672 class=SpellE><i>leastsq</i></span> minimizer, which not applicable for problem
    3673 with a large number of histograms as it requires much more memory than the Hessian
    3674 routines. This because it creates a Jacobian matrix that is shaped N x M (N
    3675 parameters x M observations) while the Hessian methods create a Jacobian matrix
    3676 only each histogram. <o:p></o:p></span></p>
     3840Jacobian: This uses a numpy-provided <i>leastsq</i> minimizer, which not
     3841applicable for problem with a large number of histograms as it requires much
     3842more memory than the Hessian routines. This because it creates a Jacobian
     3843matrix that is shaped N x M (N parameters x M observations) while the Hessian
     3844methods create a Jacobian matrix only each histogram. <o:p></o:p></span></p>
    36773845
    36783846<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3679 margin-left:1.0in;text-indent:-.25in;mso-list:l7 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
     3847margin-left:1.0in;text-indent:-.25in;mso-list:l9 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
    36803848style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    36813849mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
    36823850style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    36833851</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>numeric:
    3684 This also uses the <span class=SpellE>numpy</span> <span class=SpellE><i>leastsq</i></span>
    3685 minimizer, and is also not applicable for larger problems. Unlike, the
    3686 &quot;analytic Jacobian&quot;, numerical derivatives are computed rather than
    3687 use the analytical derivatives that are coded directly into GSAS-II. This will
    3688 be slower than the analytical derivatives and will is often less accurate which
    3689 results in slower convergence. <i>It is typically used for code development to
    3690 check the accuracy of the analytical derivative formulations. </i><o:p></o:p></span></p>
     3852This also uses the numpy <i>leastsq</i> minimizer, and is also not applicable
     3853for larger problems. Unlike, the &quot;analytic Jacobian&quot;, numerical
     3854derivatives are computed rather than use the analytical derivatives that are
     3855coded directly into GSAS-II. This will be slower than the analytical
     3856derivatives and will is often less accurate which results in slower
     3857convergence. <i>It is typically used for code development to check the accuracy
     3858of the analytical derivative formulations. </i><o:p></o:p></span></p>
    36913859
    36923860<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3693 margin-left:1.0in;text-indent:-.25in;mso-list:l7 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
     3861margin-left:1.0in;text-indent:-.25in;mso-list:l9 level1 lfo2;tab-stops:list .5in'><![if !supportLists]><span
    36943862style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    36953863mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    37033871<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    37043872"Times New Roman"'>Note that the Jacobian refinement tools are the Fortran
    3705 MINPACK <span class=SpellE><i>lmdif</i></span> and <span class=SpellE><i>lmder</i></span>
    3706 algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
    3707 package. The Hessian routines were developed for GSAS-II based on routines in <span
    3708 class=SpellE>numpy</span> and <span class=SpellE>scipy</span> and using the
    3709 material in Numerical Recipes (Press, Flannery, <span class=SpellE>Teulosky</span>
    3710 &amp; <span class=SpellE>Vetterling</span>) for the Levenberg-Marquardt. The
    3711 purpose is to minimize the sum of the squares of M nonlinear functions in N
    3712 variables by a modification of the Levenberg-Marquardt algorithm. The <span
    3713 class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> routines were
    3714 written by Burton S. <span class=SpellE>Garbow</span>, Kenneth E. <span
    3715 class=SpellE>Hillstrom</span>, Jorge J. More (Argonne National Laboratory,
    3716 1980). <o:p></o:p></span></p>
     3873MINPACK <i>lmdif</i> and <i>lmder</i> algorithms wrapped in python as provided
     3874in the Scipy package. The Hessian routines were developed for GSAS-II based on
     3875routines in numpy and scipy and using the material in Numerical Recipes (Press,
     3876Flannery, Teulosky &amp; Vetterling) for the Levenberg-Marquardt. The purpose
     3877is to minimize the sum of the squares of M nonlinear functions in N variables
     3878by a modification of the Levenberg-Marquardt algorithm. The lmdif and lmder
     3879routines were written by Burton S. Garbow, Kenneth E. Hillstrom, Jorge J. More
     3880(Argonne National Laboratory, 1980). <o:p></o:p></span></p>
    37173881
    37183882<p class=MsoNormal style='margin-left:1.0in'><b><span style='mso-fareast-font-family:
     
    37223886<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    37233887"Times New Roman"'>A refinement will stop when the change in the minimization
    3724 function (M=Σ[w(Io-<span class=SpellE>Ic</span>)<sup>2</sup>]) is less than
    3725 this value. The allowed range is 10<sup>-9</sup> to 1.0, with a default of
    3726 0.001. A value of 1.0 stops the refinement after a single cycle. Values less
    3727 than 10<sup>-4</sup> cause refinements to continue even if there is no
    3728 meaningful improvement. <o:p></o:p></span></p>
     3888function (M=Σ[w(Io-Ic)<sup>2</sup>]) is less than this value. The allowed range
     3889is 10<sup>-9</sup> to 1.0, with a default of 0.001. A value of 1.0 stops the
     3890refinement after a single cycle. Values less than 10<sup>-4</sup> cause
     3891refinements to continue even if there is no meaningful improvement. <o:p></o:p></span></p>
    37293892
    37303893<p class=MsoNormal style='margin-left:1.0in'><b><span style='mso-fareast-font-family:
     
    38424005
    38434006<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    3844 "Times New Roman"'>Normally, in a sequential histograms are fit in the order they
    3845 are in the data tree (which can be reordered by dragging tree items), but when
    3846 this option is selected, the sequential fit is performed with the last tree
    3847 entry first. <o:p></o:p></span></p>
     4007"Times New Roman"'>Normally, in a sequential histograms are fit in the order
     4008they are in the data tree (which can be reordered by dragging tree items), but
     4009when this option is selected, the sequential fit is performed with the last
     4010tree entry first. <o:p></o:p></span></p>
    38484011
    38494012<p class=MsoNormal style='margin-left:1.0in'><b><span style='mso-fareast-font-family:
     
    39054068
    39064069<p style='margin-left:1.0in'>Move the mouse cursor across the plot. If on a
    3907 diagonal cell, the parameter name, value and <span class=SpellE>esd</span> is
    3908 shown both as a tool tip and in the right-hand portion of the status bar. If
    3909 the cursor is off the diagonal, the two parameter names and their covariance
    3910 are shown in the tool tip and the status bar. </p>
     4070diagonal cell, the parameter name, value and esd is shown both as a tool tip
     4071and in the right-hand portion of the status bar. If the cursor is off the
     4072diagonal, the two parameter names and their covariance are shown in the tool
     4073tip and the status bar. </p>
    39114074
    39124075<p style='margin-left:1.0in'>Use the Zoom and Pan buttons to focus on some
     
    39154078<p style='margin-left:1.0in'>Press ‘s’ – A color scheme selection dialog is
    39164079shown. Select a color scheme and press OK, the new color scheme will be
    3917 plotted. The default is ‘<span class=SpellE>RdYlGn</span>’. </p>
     4080plotted. The default is ‘RdYlGn’. </p>
    39184081
    39194082<p style='margin-left:1.0in'>Press ‘p’ – Saves the covariance values in a text
     
    39324095
    39334096<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3934 margin-left:1.25in;text-indent:-.25in;mso-list:l2 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
     4097margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
    39354098style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    39364099mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    39434106
    39444107<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3945 margin-left:1.25in;text-indent:-.25in;mso-list:l2 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
     4108margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
    39464109style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    39474110mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    39554118
    39564119<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3957 margin-left:1.25in;text-indent:-.25in;mso-list:l2 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
     4120margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
    39584121style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    39594122mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    39664129quantities that can be dependent on both the phase properties and the sample or
    39674130dataset used for the measurement. Examples include phase fractions and
    3968 sample-broadening coefficients such as <span class=SpellE>microstrain</span>
    3969 and crystallite size. <o:p></o:p></span></p>
     4131sample-broadening coefficients such as microstrain and crystallite size. <o:p></o:p></span></p>
    39704132
    39714133<p class=MsoNormal style='margin-left:.5in'>The following types of constraints
     
    40484210
    40494211<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4050 margin-left:1.25in;text-indent:-.25in;mso-list:l5 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
     4212margin-left:1.25in;text-indent:-.25in;mso-list:l6 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
    40514213style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    40524214style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    40554217
    40564218<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4057 margin-left:1.25in;text-indent:-.25in;mso-list:l5 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
     4219margin-left:1.25in;text-indent:-.25in;mso-list:l6 level1 lfo4;tab-stops:list .5in'><![if !supportLists]><span
    40584220style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    40594221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    40624224
    40634225<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4064 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4226margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    40654227style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    40664228mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    40744236
    40754237<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4076 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4238margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    40774239style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    40784240mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    40894251
    40904252<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4091 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4253margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    40924254style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    40934255mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    41054267
    41064268<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4107 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4269margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    41084270style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    41094271mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    41184280
    41194281<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4120 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4282margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    41214283style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    41224284mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    41294291
    41304292<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4131 margin-left:1.75in;text-indent:-.25in;mso-list:l5 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
     4293margin-left:1.75in;text-indent:-.25in;mso-list:l6 level2 lfo4;tab-stops:list 1.0in'><![if !supportLists]><span
    41324294style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    41334295mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    41424304
    41434305<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4144 margin-left:1.5in;text-indent:-.25in;mso-list:l1 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
     4306margin-left:1.5in;text-indent:-.25in;mso-list:l0 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
    41454307style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    41464308mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    41524314
    41534315<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4154 margin-left:1.5in;text-indent:-.25in;mso-list:l1 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
     4316margin-left:1.5in;text-indent:-.25in;mso-list:l0 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
    41554317style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    41564318mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
    41574319style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    41584320</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Show
    4159 Warnings </span></b><span style='mso-fareast-font-family:"Times New Roman"'>: this
    4160 button will be active if correctable problems are encountered in processing the
    4161 constraints, such as a constraint being rejected because a parameter is not
    4162 varied. These warning may indicate that the choice of which parameters will be
    4163 refined is not what was planned. <o:p></o:p></span></p>
     4321Warnings </span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
     4322this button will be active if correctable problems are encountered in
     4323processing the constraints, such as a constraint being rejected because a
     4324parameter is not varied. These warning may indicate that the choice of which
     4325parameters will be refined is not what was planned. <o:p></o:p></span></p>
    41644326
    41654327<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4166 margin-left:1.5in;text-indent:-.25in;mso-list:l1 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
     4328margin-left:1.5in;text-indent:-.25in;mso-list:l0 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
    41674329style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    41684330mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    41774339
    41784340<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4179 margin-left:1.5in;text-indent:-.25in;mso-list:l1 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
     4341margin-left:1.5in;text-indent:-.25in;mso-list:l0 level1 lfo5;tab-stops:list .5in'><![if !supportLists]><span
    41804342style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
    41814343mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     
    41924354on constraints <a href="#Constraints">(above)</a> applies to sequential
    41934355refinements, the sequential refinement is performed by fitting each histogram
    4194 individually and this affects how constraints are defined and processed for
    4195 parameters keyed to a particular constraint number. When sequential refinement
    4196 is selected (via the <a href="#Controls">Controls tree item</a>), it becomes
    4197 possible to define constraints of form &quot;<tt><i><span style='font-size:
    4198 10.0pt'>p</span></i></tt>:*:<tt><i><span style='font-size:10.0pt'>name</span></i></tt>&quot;
    4199 and &quot;:*:<tt><i><span style='font-size:10.0pt'>name</span></i></tt>&quot;
    4200 (where &quot;<tt><i><span style='font-size:10.0pt'>p</span></i></tt>&quot; is a
    4201 phase number and <tt><i><span style='font-size:10.0pt'>name</span></i></tt> is
    4202 a parameter name). The &quot;*&quot; here is called a wildcard and in a
    4203 constraint or equivalence will cause that to be used for every histogram in
    4204 turn. </p>
     4356individually and this affects how constraints are defined and processed for parameters
     4357keyed to a particular constraint number. When sequential refinement is selected
     4358(via the <a href="#Controls">Controls tree item</a>), it becomes possible to
     4359define constraints of form &quot;<tt><i><span style='font-size:10.0pt'>p</span></i></tt>:*:<tt><i><span
     4360style='font-size:10.0pt'>name</span></i></tt>&quot; and &quot;:*:<tt><i><span
     4361style='font-size:10.0pt'>name</span></i></tt>&quot; (where &quot;<tt><i><span
     4362style='font-size:10.0pt'>p</span></i></tt>&quot; is a phase number and <tt><i><span
     4363style='font-size:10.0pt'>name</span></i></tt> is a parameter name). The
     4364&quot;*&quot; here is called a wildcard and in a constraint or equivalence will
     4365cause that to be used for every histogram in turn. </p>
    42054366
    42064367<p class=MsoNormal style='margin-left:.75in'>&nbsp; </p>
     
    42714432
    42724433<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    4273 text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4434text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    42744435style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    42754436style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    42794440
    42804441<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4281 auto;text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4442auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    42824443style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    42834444style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    42884449
    42894450<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4290 auto;text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4451auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    42914452style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    42924453style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    42954456
    42964457<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4297 auto;text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4458auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    42984459style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    42994460style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    43024463
    43034464<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4304 auto;text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4465auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    43054466style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    43064467style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    43074468style='mso-fareast-font-family:"Times New Roman"'>You can examine the table of
    43084469restraints and change individual values; grayed out regions cannot be changed.
    4309 The ‘calc’ values are determined from the atom positions in your structure, ‘<span
    4310 class=SpellE>obs</span>’ values are the target values for the restraint and ‘<span
    4311 class=SpellE>esd</span>’ is the uncertainty used to weight the restraint in the
    4312 refinement (multiplied by the weight factor).<o:p></o:p></span></p>
     4470The ‘calc’ values are determined from the atom positions in your structure,
     4471‘obs’ values are the target values for the restraint and ‘esd’ is the
     4472uncertainty used to weight the restraint in the refinement (multiplied by the
     4473weight factor).<o:p></o:p></span></p>
    43134474
    43144475<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4315 auto;text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
     4476auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
    43164477style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    43174478style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    43214482
    43224483<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4323 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4484auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43244485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    43254486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    43314492
    43324493<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4333 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4494auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43344495style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    43354496style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    43384499this takes you through a sequence of dialog boxes which ask for the identities
    43394500of the atoms involved in the restraint and the value to be assigned to the
    4340 restraint. The <span class=SpellE>esd</span> is given a default value which can
    4341 be changed after the restraints are created.<o:p></o:p></span></p>
     4501restraint. The esd is given a default value which can be changed after the
     4502restraints are created.<o:p></o:p></span></p>
    43424503
    43434504<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4344 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4505auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43454506style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    43464507style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    43494510– if the phase is a ‘macromolecule’ then develop the restraints from a selected
    43504511‘macro’ file based on those used in GSAS for this purpose. A file dialog box is
    4351 shown directed to /<span class=SpellE>GSASIImacros</span>; be sure to select
    4352 the correct file.<o:p></o:p></span></p>
     4512shown directed to /GSASIImacros; be sure to select the correct file.<o:p></o:p></span></p>
    43534513
    43544514<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4355 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4515auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43564516style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    43574517style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    43714531
    43724532<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4373 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4533auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43744534style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    43754535style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    43764536style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
    43774537value</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – this
    4378 changes the ‘<span class=SpellE>obsd</span>’ value for selected restraints; a
    4379 dialog box will appear asking for the new value. <o:p></o:p></span></p>
     4538changes the ‘obsd’ value for selected restraints; a dialog box will appear
     4539asking for the new value. <o:p></o:p></span></p>
    43804540
    43814541<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4382 auto;text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4542auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43834543style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    43844544style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    43854545</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4386 style='mso-fareast-font-family:"Times New Roman"'>Change <span class=SpellE>esd</span></span></b><span
    4387 style='mso-fareast-font-family:"Times New Roman"'> – this changes the ‘<span
    4388 class=SpellE>esd</span>’ value for selected restraints; a dialog box will
    4389 appear asking for the new value.<o:p></o:p></span></p>
     4546style='mso-fareast-font-family:"Times New Roman"'>Change esd</span></b><span
     4547style='mso-fareast-font-family:"Times New Roman"'> – this changes the ‘esd’
     4548value for selected restraints; a dialog box will appear asking for the new
     4549value.<o:p></o:p></span></p>
    43904550
    43914551<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
    4392 text-indent:-.25in;mso-list:l4 level2 lfo6'><![if !supportLists]><span
     4552text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
    43934553style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    43944554style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    44134573
    44144574<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    4415 text-indent:-.25in;mso-list:l10 level1 lfo7'><![if !supportLists]><span
     4575text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
    44164576style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    44174577style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    44224582
    44234583<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4424 auto;text-indent:-.25in;mso-list:l10 level1 lfo7'><![if !supportLists]><span
     4584auto;text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
    44254585style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    44264586style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    44304590
    44314591<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4432 auto;text-indent:-.25in;mso-list:l10 level2 lfo7'><![if !supportLists]><b
     4592auto;text-indent:-.25in;mso-list:l12 level2 lfo7'><![if !supportLists]><b
    44334593style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    44344594style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    44434603
    44444604<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4445 auto;text-indent:-.25in;mso-list:l10 level2 lfo7'><![if !supportLists]><span
     4605auto;text-indent:-.25in;mso-list:l12 level2 lfo7'><![if !supportLists]><span
    44464606style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    44474607style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    44534613
    44544614<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4455 auto;text-indent:-.25in;mso-list:l10 level2 lfo7'><![if !supportLists]><span
     4615auto;text-indent:-.25in;mso-list:l12 level2 lfo7'><![if !supportLists]><span
    44564616style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    44574617style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    44654625
    44664626<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    4467 auto;text-indent:-.25in;mso-list:l10 level2 lfo7'><![if !supportLists]><span
     4627auto;text-indent:-.25in;mso-list:l12 level2 lfo7'><![if !supportLists]><span
    44684628style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    44694629style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    44714631residues</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
    44724632(Residue rigid bodies) this reads a predetermined macro file that contains
    4473 standard (<span class=SpellE>Engh</span> &amp; Huber) coordinates for the amino
    4474 acids found in natural proteins along with predetermined variable torsion angle
    4475 definitions.<o:p></o:p></span></p>
     4633standard (Engh &amp; Huber) coordinates for the amino acids found in natural
     4634proteins along with predetermined variable torsion angle definitions.<o:p></o:p></span></p>
    44764635
    44774636<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4478 auto;text-indent:-.25in;mso-list:l10 level1 lfo7'><![if !supportLists]><span
     4637auto;text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
    44794638style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    44804639style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    44844643
    44854644<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    4486 text-indent:-.25in;mso-list:l10 level1 lfo7'><![if !supportLists]><span
     4645text-indent:-.25in;mso-list:l12 level1 lfo7'><![if !supportLists]><span
    44874646style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    44884647style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    44984657use the Calculate/Sequential refine menu command to run the refinement.) When
    44994658this is selected, the window tabulates the sequential refinement results. The
    4500 columns are the parameter names; the naming convention is ‘<span class=SpellE>p:h:name:n</span>’
    4501 where ‘p’ is the phase number,’ h’ is the histogram number, ‘name’ is the
    4502 parameter name, and ‘n’ (if needed) is the item number (e.g. atom number). The
    4503 rows are the data sets used in the sequential refinement.</p>
     4659columns are the parameter names; the naming convention is ‘p:h:name:n’ where
     4660‘p’ is the phase number,’ h’ is the histogram number, ‘name’ is the parameter
     4661name, and ‘n’ (if needed) is the item number (e.g. atom number). The rows are
     4662the data sets used in the sequential refinement.</p>
    45044663
    45054664<h5 style='margin-left:.5in'><span style='mso-fareast-font-family:"Times New Roman"'>What
    45064665can I do here?<o:p></o:p></span></h5>
    45074666
    4508 <h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l9 level1 lfo8'><![if !supportLists]><span
     4667<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l11 level1 lfo8'><![if !supportLists]><span
    45094668style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    45104669normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
     
    45154674matrix for the refinement with that data set.<o:p></o:p></span></h5>
    45164675
    4517 <h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l9 level1 lfo8'><![if !supportLists]><span
     4676<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l11 level1 lfo8'><![if !supportLists]><span
    45184677style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    45194678normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>2.<span
     
    45254684also shown.<o:p></o:p></span></h5>
    45264685
    4527 <h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l9 level1 lfo8'><![if !supportLists]><span
     4686<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l11 level1 lfo8'><![if !supportLists]><span
    45284687style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    45294688normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>3.<span
     
    45354694normal;mso-bidi-font-weight:bold'><o:p></o:p></span></h5>
    45364695
    4537 <h5 style='margin-left:1.75in;text-indent:-.25in;mso-list:l9 level2 lfo8'><![if !supportLists]><span
     4696<h5 style='margin-left:1.75in;text-indent:-.25in;mso-list:l11 level2 lfo8'><![if !supportLists]><span
    45384697style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    45394698normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
     
    45424701style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    45434702normal;mso-bidi-font-weight:bold'> – this will create a text file of selected
    4544 columns with values and corresponding <span class=SpellE>esds</span>. A file
    4545 dialog box will appear; give a suitable file name; you may change directory if
    4546 desired.<o:p></o:p></span></h5>
     4703columns with values and corresponding esds. A file dialog box will appear; give
     4704a suitable file name; you may change directory if desired.<o:p></o:p></span></h5>
    45474705
    45484706<div class=MsoNormal align=center style='text-align:center'><span
     
    45644722
    45654723<p class=MsoNormal style='margin-left:.25in'>These are shown in the data tree
    4566 with a prefix of ‘PWDR’, ’HKLF’, ‘IMG’, ‘PKS’, ‘SASD’, ‘REFD’ or ‘PDF’ and
     4724with a prefix of ‘PWDR’, ’HKLF’, ‘PDF’, ‘IMG’, ‘PKS’, ‘SASD’, ‘REFD’ or and
    45674725usually a file name. These constitute the data sets (‘Histograms’) to be used
    45684726by GSAS-II for analysis. Selection of these items does not produce much
     
    45944752
    45954753<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
    4596 style='mso-fareast-font-family:"Times New Roman"'>This window shows the
    4597 reflections for this single crystal data set. <o:p></o:p></span></p>
     4754style='mso-fareast-font-family:"Times New Roman"'>This window shows the reflections
     4755for this single crystal data set. <o:p></o:p></span></p>
    45984756
    45994757<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
     
    46034761<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:PDF'><span
    46044762style='mso-fareast-font-family:"Times New Roman"'>By default, the plot will
    4605 show a l=0 layer of reflections on a square grid as rings proportional to <span
    4606 class=SpellE>F<sub>o</sub></span> (blue), F<sub>c</sub> (green) and a central
    4607 dot (green or red) proportional to <span class=SpellE>F<sub>o</sub></span>-F<sub>c</sub>.<o:p></o:p></span></span></p>
     4763show a l=0 layer of reflections on a square grid as rings proportional to F<sub>o</sub>
     4764(blue), F<sub>c</sub> (green) and a central dot (green or red) proportional to
     4765F<sub>o</sub>-F<sub>c</sub>.<o:p></o:p></span></span></p>
    46084766
    46094767<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
    46104768style='mso-bookmark:PDF'><span style='mso-fareast-font-family:"Times New Roman"'>What
    4611 can I do with the plot?</span><o:p></o:p></span></h5>
    4612 
    4613 <p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:PDF'>The “K”
    4614 box in the plot controls shows the 14 keystroke controls for the plot – they are
    4615 generally self-explanatory.<o:p></o:p></span></p>
     4769can I do with the plot?</span></span></h5>
     4770
     4771<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:PDF'>The
     4772“K” box in the plot controls shows the 14 keystroke controls for the plot –
     4773they are generally self-explanatory.</span></p>
    46164774
    46174775<h2 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     
    46404798
    46414799<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
    4642 Optimize PDF button can be used to refine the values of the &quot;Flat <span
    4643 class=SpellE>Bkg</span>&quot;, &quot;Background ratio&quot; and &quot;Ruland
    4644 width&quot; parameters to best agree with the -4*pi*r line that is plotted for
    4645 r &lt; <span class=SpellE>Rmin</span>. <span class=SpellE>Rmin</span> should be
    4646 set to a distance below the shortest expected interatomic distance for the
    4647 material. </p>
     4800Optimize PDF button can be used to refine the values of the &quot;Flat
     4801Bkg&quot;, &quot;Background ratio&quot; and &quot;Ruland width&quot; parameters
     4802to best agree with the -4*pi*r line that is plotted for r &lt; Rmin. Rmin
     4803should be set to a distance below the shortest expected interatomic distance
     4804for the material. </p>
    46484805
    46494806<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'>What
     
    46514808
    46524809<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'>The
    4653 PDF parameters can be changed, triggering <span class=SpellE>recomputation</span>
    4654 of the <a href="#PDF_I_Q">I(Q)</a>, <a href="#PDF_S_Q">S(Q)</a>, <a
    4655 href="#PDF_F_Q">F(Q)</a> and <a href="#PDF_G_R">G(R) functions</a>. Available
    4656 menu commands are: </p>
     4810PDF parameters can be changed, triggering recomputation of the <a
     4811href="#PDF_I_Q">I(Q)</a>, <a href="#PDF_S_Q">S(Q)</a>, <a href="#PDF_F_Q">F(Q)</a>
     4812and <a href="#PDF_G_R">G(R) functions</a>. Available menu commands are: </p>
    46574813
    46584814<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
     
    46604816
    46614817<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
    4662 style='mso-fareast-font-family:"Times New Roman"'>Adds a new element to the chemical
    4663 formula by clicking on a periodic table. Note that the number of atoms of this
    4664 type in the empirical formula must still be entered. <o:p></o:p></span></p>
     4818style='mso-fareast-font-family:"Times New Roman"'>Adds a new element to the
     4819chemical formula by clicking on a periodic table. Note that the number of atoms
     4820of this type in the empirical formula must still be entered. <o:p></o:p></span></p>
    46654821
    46664822<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
     
    46824838
    46834839<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
    4684 style='mso-fareast-font-family:"Times New Roman"'>Replaces the current PDF
    4685 control values with values read from a file (see Save controls). <o:p></o:p></span></p>
     4840style='mso-fareast-font-family:"Times New Roman"'>Replaces the current PDF control
     4841values with values read from a file (see Save controls). <o:p></o:p></span></p>
    46864842
    46874843<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
     
    47604916
    47614917<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
    4762 style='mso-fareast-font-family:"Times New Roman"'>Allows only some PDFs to be plotted,
    4763 rather than all. <o:p></o:p></span></p>
     4918style='mso-fareast-font-family:"Times New Roman"'>Allows only some PDFs to be
     4919plotted, rather than all. <o:p></o:p></span></p>
    47644920
    47654921<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'><b><span
     
    47884944
    47894945<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
    4790 style='mso-fareast-font-family:"Times New Roman"'>for a waterfall plot of
    4791 multiple powder profiles, increase the offset so that later plots are shifted
    4792 more to the left relative to previous plots. <o:p></o:p></span></p>
     4946style='mso-fareast-font-family:"Times New Roman"'>for a waterfall plot of multiple
     4947powder profiles, increase the offset so that later plots are shifted more to
     4948the left relative to previous plots. <o:p></o:p></span></p>
    47934949
    47944950<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'><b><span
     
    48294985
    48304986<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
    4831 shows the I(Q) function. See the <a href="#PDF_Controls">PDF Controls</a> for information
    4832 on menu commands and plot options, </p>
     4987shows the I(Q) function. See the <a href="#PDF_Controls">PDF Controls</a> for
     4988information on menu commands and plot options, </p>
    48334989
    48344990<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
     
    48705026
    48715027<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
    4872 style='mso-fareast-font-family:"Times New Roman"'>This window displays
    4873 calibration values needed to convert pixel locations to two-theta and azimuth.
    4874 Also shown are controls that determine how integration is performed. <o:p></o:p></span></p>
     5028style='mso-fareast-font-family:"Times New Roman"'>This window displays calibration
     5029values needed to convert pixel locations to two-theta and azimuth. Also shown
     5030are controls that determine how integration is performed. <o:p></o:p></span></p>
    48755031
    48765032<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'>Menu
     
    48885044<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
    48895045style='mso-fareast-font-family:"Times New Roman"'>Image masks are used
    4890 designate areas of an image that should not be included in the integration, typically
    4891 used due to detector irregularities, shadows of the <span class=SpellE>beamstop</span>,
     5046designate areas of an image that should not be included in the integration,
     5047typically used due to detector irregularities, shadows of the beamstop,
    48925048single-crystal peaks from a mounting, etc. Masks can be created with a menu
    48935049command or with keyboard/mouse shortcuts. There are five types of masks:<o:p></o:p></span></p>
    48945050
    48955051<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4896 margin-left:1.0in;text-indent:-.25in;mso-list:l11 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
     5052margin-left:1.0in;text-indent:-.25in;mso-list:l13 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    48975053style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    48985054style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    49015057
    49025058<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4903 margin-left:1.0in;text-indent:-.25in;mso-list:l11 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
     5059margin-left:1.0in;text-indent:-.25in;mso-list:l13 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49045060style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    49055061style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    49065062style='mso-fareast-font-family:"Times New Roman"'>Ring masks: occludes a
    4907 specific Bragg reflection (a ring placed relative to the image center). The location
    4908 and thickness of the ring are specified in degrees 2-theta. <o:p></o:p></span></p>
     5063specific Bragg reflection (a ring placed relative to the image center). The
     5064location and thickness of the ring are specified in degrees 2-theta. <o:p></o:p></span></p>
    49095065
    49105066<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4911 margin-left:1.0in;text-indent:-.25in;mso-list:l11 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
     5067margin-left:1.0in;text-indent:-.25in;mso-list:l13 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49125068style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    49135069style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    49145070style='mso-fareast-font-family:"Times New Roman"'>Arc masks: occlude a section
    49155071of a Bragg reflection, similar to a ring mask, except that in addition to the
    4916 location and thickness of the ring, the mask has a starting and ending azimuthal
    4917 angle. <o:p></o:p></span></p>
     5072location and thickness of the ring, the mask has a starting and ending
     5073azimuthal angle. <o:p></o:p></span></p>
    49185074
    49195075<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4920 margin-left:1.0in;text-indent:-.25in;mso-list:l11 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
     5076margin-left:1.0in;text-indent:-.25in;mso-list:l13 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49215077style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    49225078style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4923 style='mso-fareast-font-family:"Times New Roman"'>Polygon masks: occlude an <span
    4924 class=SpellE>arbitary</span> region created by line segments joining a series
    4925 of points specified in image coordinates (mm). Pixels inside the polygon mask
    4926 are not used for integration. <o:p></o:p></span></p>
     5079style='mso-fareast-font-family:"Times New Roman"'>Polygon masks: occlude an
     5080arbitary region created by line segments joining a series of points specified
     5081in image coordinates (mm). Pixels inside the polygon mask are not used for
     5082integration. <o:p></o:p></span></p>
    49275083
    49285084<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4929 margin-left:1.0in;text-indent:-.25in;mso-list:l11 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
     5085margin-left:1.0in;text-indent:-.25in;mso-list:l13 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49305086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    49315087style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    4932 style='mso-fareast-font-family:"Times New Roman"'>The Frame mask: occludes an <span
    4933 class=SpellE>arbitary</span> region created by line segments joining a series
    4934 of points specified in image coordinates (mm). Typically a point is placed near
    4935 each corner of the image. Only pixels inside the frame mask are used for
    4936 integration. Only one frame mask can be defined. <o:p></o:p></span></p>
     5088style='mso-fareast-font-family:"Times New Roman"'>The Frame mask: occludes an
     5089arbitary region created by line segments joining a series of points specified
     5090in image coordinates (mm). Typically a point is placed near each corner of the
     5091image. Only pixels inside the frame mask are used for integration. Only one
     5092frame mask can be defined. <o:p></o:p></span></p>
    49375093
    49385094<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'>What
     
    49595115
    49605116<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4961 margin-left:1.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5117margin-left:1.5in;text-indent:-.25in;mso-list:l10 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
    49625118style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    49635119style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    49655121
    49665122<p style='margin-left:1.75in;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'><b>Create
    4967 Spot masks</b> after a menu command by clicking on the location on the image that
    4968 should be masked. There are also two ways to create spot masks with the
     5123Spot masks</b> after a menu command by clicking on the location on the image
     5124that should be masked. There are also two ways to create spot masks with the
    49695125keyboard: </p>
    49705126
    49715127<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4972 margin-left:2.2in;text-indent:-.25in;mso-list:l8 level2 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5128margin-left:2.2in;text-indent:-.25in;mso-list:l10 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49735129style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    49745130mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    49795135
    49805136<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    4981 margin-left:2.2in;text-indent:-.25in;mso-list:l8 level2 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5137margin-left:2.2in;text-indent:-.25in;mso-list:l10 level2 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    49825138style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:"Courier New";
    49835139mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
     
    49885144
    49895145<p style='margin-left:1.95in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
    4990 default size for newly-created spot masks is determined by the <span
    4991 class=SpellE><tt><span style='font-size:10.0pt'>Spot_mask_diameter</span></tt></span>
    4992 <a href="#Preferences">configuration variable</a> or 1.0 mm, if not specified. </p>
     5146default size for newly-created spot masks is determined by the <tt><span
     5147style='font-size:10.0pt'>Spot_mask_diameter</span></tt> <a href="#Preferences">configuration
     5148variable</a> or 1.0 mm, if not specified. </p>
    49935149
    49945150<p style='margin-left:1.75in;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'><b>Edit
     
    50015157
    50025158<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5003 margin-left:1.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5159margin-left:1.5in;text-indent:-.25in;mso-list:l10 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
    50045160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    50055161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    50125168
    50135169<p style='margin-left:1.95in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
    5014 default thickness for newly-created ring masks is determined by the <span
    5015 class=SpellE><tt><span style='font-size:10.0pt'>Ring_mask_thickness</span></tt></span>
    5016 <a href="#Preferences">configuration variable</a> or 0.1 degrees (2theta) if
    5017 not specified. </p>
     5170default thickness for newly-created ring masks is determined by the <tt><span
     5171style='font-size:10.0pt'>Ring_mask_thickness</span></tt> <a href="#Preferences">configuration
     5172variable</a> or 0.1 degrees (2theta) if not specified. </p>
    50185173
    50195174<p style='margin-left:1.75in;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'><b>Edit
     
    50235178<p style='margin-left:1.75in;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'><b>Edit
    50245179Ring mask thickness</b> by <a href="#Mac_rightclick">right-clicking*</a> either
    5025 on the inner or outer circle and drag the <span class=SpellE>the</span> circle
    5026 change spacing between the inner and outer circle. </p>
     5180on the inner or outer circle and drag the the circle change spacing between the
     5181inner and outer circle. </p>
    50275182
    50285183<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5029 margin-left:1.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5184margin-left:1.5in;text-indent:-.25in;mso-list:l10 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
    50305185style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    50315186style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    50435198default size for newly-created ring masks is determined by <a
    50445199href="#Preferences">configuration variables</a><br>
    5045 thickness: <span class=SpellE><tt><span style='font-size:10.0pt'>Ring_mask_thickness</span></tt></span>
     5200thickness: <tt><span style='font-size:10.0pt'>Ring_mask_thickness</span></tt>
    50465201(0.1 degrees 2theta if not specified) and <br>
    5047 azimuthal range: <span class=SpellE><tt><span style='font-size:10.0pt'>Arc_mask_azimuth</span></tt></span>
     5202azimuthal range: <tt><span style='font-size:10.0pt'>Arc_mask_azimuth</span></tt>
    50485203(10.0 degrees if not specified.) </p>
    50495204
     
    50565211<p style='margin-left:1.75in;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'><b>Edit
    50575212Arc mask thickness or range</b> by <a href="#Mac_rightclick">right-clicking*</a>
    5058 either on the inner or outer circle and drag the <span class=SpellE>the</span>
    5059 circle change spacing between the inner and outer circle. Alternately, <a
    5060 href="#Mac_rightclick">right-click*</a> on the upper or lower arc limit (the
    5061 straight lines) and drag them to change the arc azimuthal range. </p>
     5213either on the inner or outer circle and drag the the circle change spacing
     5214between the inner and outer circle. Alternately, <a href="#Mac_rightclick">right-click*</a>
     5215on the upper or lower arc limit (the straight lines) and drag them to change
     5216the arc azimuthal range. </p>
    50625217
    50635218<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5064 margin-left:1.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5219margin-left:1.5in;text-indent:-.25in;mso-list:l10 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
    50655220style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    50665221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    5067 style='mso-fareast-font-family:"Times New Roman"'>Polygon masks: occludes an <span
    5068 class=SpellE>arbitary</span> region created by line segments joining a series
    5069 of points specified in image coordinates (mm). Pixels inside the polygon mask
    5070 are not used for integration. <o:p></o:p></span></p>
     5222style='mso-fareast-font-family:"Times New Roman"'>Polygon masks: occludes an
     5223arbitary region created by line segments joining a series of points specified
     5224in image coordinates (mm). Pixels inside the polygon mask are not used for
     5225integration. <o:p></o:p></span></p>
    50715226
    50725227<p style='margin-left:1.75in;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'><b>Create
     
    50895244
    50905245<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5091 margin-left:1.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5246margin-left:1.5in;text-indent:-.25in;mso-list:l10 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
    50925247style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    50935248style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    51095264<p style='margin-left:1.75in;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'><b>Edit
    51105265the Frame mask</b> by left-clicking on any point at a vertex in the frame mask
    5111 and drag that point to a new position. If the vertex is dragged to the same
    5112 position as any other vertex in the mask the dragged point is deleted. </p>
     5266and drag that point to a new position. If the vertex is dragged to the same position
     5267as any other vertex in the mask the dragged point is deleted. </p>
    51135268
    51145269<p style='margin-left:1.75in;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'><b>Add
     
    51475302Peaks – type PKS </span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
    51485303
     5304<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Powder
     5305peaks can only be used for indexing of the peak positions for possible unit
     5306cells.<o:p></o:p></span></p>
     5307
     5308<h4><span style='mso-fareast-font-family:"Times New Roman"'>Comments<o:p></o:p></span></h4>
     5309
     5310<p class=MsoNormal style='margin-left:.25in'>This window shows whatever comment
     5311lines (preceded by “#”) found when the peaks data file was read by GSAS-II. If you
     5312are lucky, there will be useful information here (e.g. sample name, date
     5313collected, wavelength used, etc.). If not, this window will be blank. The text
     5314is read-only.</p>
     5315
     5316<h4><a name="PKS_Limits">Limits</a></h4>
     5317
     5318<p class=MsoNormal style='margin-left:.25in'>This window shows the limits in
     5319position to be used in indexing from these peak positions. The ‘original’
     5320values are obtained from the minimum &amp; maximum 1<sup>st</sup> &amp; last
     5321position. The ‘new’ values determine the range of data that will be used in
     5322fitting. Units are 2<span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";
     5323mso-hansi-font-family:"Times New Roman";mso-char-type:symbol;mso-symbol-font-family:
     5324Symbol'><span style='mso-char-type:symbol;mso-symbol-font-family:Symbol'>Q</span></span>.<o:p></o:p></p>
     5325
     5326<h5 style='margin-left:.25in'><span style='mso-fareast-font-family:"Times New Roman"'>What
     5327can I do here?<o:p></o:p></span></h5>
     5328
     5329<p style='margin-left:.5in'>You can change the &quot;new&quot; values for Tmin
     5330and Tmax as needed. Change the upper and lower Tmin values by clicking on the
     5331appropriate vertical line and dragging it to the right or left or by typing
     5332values into the data window. <o:p></o:p></p>
     5333
     5334<p style='margin-left:.5in'>Menu ‘<b>Edit Limits</b>’ <o:p></o:p></p>
     5335
     5336<p class=MsoNormal style='margin-left:.75in'><b><span style='mso-fareast-font-family:
     5337"Times New Roman"'>Copy</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     5338
     5339<p class=MsoNormal style='margin-left:.25in'><span style='mso-fareast-font-family:
     5340"Times New Roman"'>this copies the limits shown to other selected powder
     5341patterns. If used, a dialog box (Copy Parameters) will appear showing the list
     5342of available peaks list patterns, you can copy the limits parameters to any or
     5343all of them; select ‘All’ to copy them to all patterns. Then select ‘OK’ to do
     5344the copy; ‘Cancel’ to cancel the operation. <o:p></o:p></span></p>
     5345
     5346<h4><a name="PKS_Instrument_Parameters">Instrument Parameters</a></h4>
     5347
     5348<p class=MsoNormal style='margin-left:.25in'><span style='mso-bookmark:PKS_Instrument_Parameters'>This
     5349window shows the relevant instrument parameters for a peaks list; namely a wavelength
     5350and zero needed to relate d-spacing to 2Q. Neither are refinable.</span></p>
     5351
     5352<h5 style='margin-left:.25in'><span style='mso-bookmark:PKS_Instrument_Parameters'><span
     5353style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span></span><span
     5354style='mso-bookmark:PKS_Instrument_Parameters'><span class=MsoHyperlink><span
     5355style='color:#00B0F0;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
     5356
     5357<p class=MsoListParagraphCxSpFirst style='margin-left:.75in;mso-add-space:auto;
     5358text-indent:-.25in;mso-list:l4 level1 lfo12'><span style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5359class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     5360color:windowtext;text-decoration:none;text-underline:none'><span
     5361style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5362</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     5363"Times New Roman"'>Menu ‘<b style='mso-bidi-font-weight:normal'>Operations</b>’
     5364– (many are irrelevant &amp; will probably be removed at some point; only useful
     5365ones will be mentioned below). <span class=MsoHyperlink><span style='color:
     5366windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     5367
     5368<p class=MsoListParagraphCxSpMiddle style='margin-left:1.25in;mso-add-space:
     5369auto;text-indent:-.25in;mso-list:l7 level2 lfo13;tab-stops:list .75in 1.0in'><span
     5370style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5371class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     5372color:windowtext;text-decoration:none;text-underline:none'><span
     5373style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5374</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     5375style='mso-fareast-font-family:"Times New Roman"'>Reset profile </span></b></span><span
     5376style='mso-bookmark:PKS_Instrument_Parameters'><span style='mso-fareast-font-family:
     5377"Times New Roman"'>– resets the values for the instrument parameters to the
     5378default values shown in parentheses for each entry.</span><span
     5379class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     5380text-underline:none'><o:p></o:p></span></span></span></p>
     5381
     5382<p class=MsoListParagraphCxSpMiddle style='margin-left:1.25in;mso-add-space:
     5383auto;text-indent:-.25in;mso-list:l7 level2 lfo13;tab-stops:list .75in 1.0in'><span
     5384style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5385class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     5386color:windowtext;text-decoration:none;text-underline:none'><span
     5387style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5388</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     5389style='mso-fareast-font-family:"Times New Roman"'>Load profile… </span></b></span><span
     5390style='mso-bookmark:PKS_Instrument_Parameters'><span style='mso-fareast-font-family:
     5391"Times New Roman"'>- loads a GSAS-II instrument parameter file (name.instprm),
     5392replacing the existing instrument parameter values. All refinement flags are
     5393unset.<span class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
     5394style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></b></span></span></span></p>
     5395
     5396<p class=MsoListParagraphCxSpMiddle style='margin-left:1.25in;mso-add-space:
     5397auto;text-indent:-.25in;mso-list:l7 level2 lfo13;tab-stops:list .75in 1.0in'><span
     5398style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
     5400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5401style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
     5402profile… - </span></b></span><span style='mso-bookmark:PKS_Instrument_Parameters'><span
     5403style='mso-fareast-font-family:"Times New Roman"'>saves the current instrument
     5404parameter values in a simple text file (name.instprm); you will be prompted for
     5405the file name – do not change the extension. This file may be edited but heed
     5406the warning to not change the parameter names, the order of the parameter
     5407records or add new parameter records as this will invalidate the file. You may
     5408only change the numeric values if necessary. You can change or add comment
     5409records (begin with ‘#’).</span><o:p></o:p></span></p>
     5410
     5411<p class=MsoListParagraphCxSpMiddle style='margin-left:1.25in;mso-add-space:
     5412auto;text-indent:-.25in;mso-list:l7 level2 lfo13;tab-stops:list .75in 1.0in'><span
     5413style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5414style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
     5415style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5416style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span
     5417style='mso-bookmark:PKS_Instrument_Parameters'><span style='mso-fareast-font-family:
     5418"Times New Roman"'> – this copies the instrument parameters shown to other
     5419selected powder patterns. If used, a dialog box (Copy parameters) will appear
     5420showing the list of available powder patterns, you can copy the instrument
     5421parameters to any or all of them; select ‘All’ to copy them to all patterns.
     5422Then select ‘OK’ to do the copy; ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></p>
     5423
     5424<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
     5425text-indent:-.25in;mso-list:l7 level1 lfo13'><span style='mso-bookmark:PKS_Instrument_Parameters'><![if !supportLists]><span
     5426class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     5427color:windowtext;text-decoration:none;text-underline:none'><span
     5428style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5429</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     5430"Times New Roman"'>You can change any of the instrument coefficients<span
     5431class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     5432text-underline:none'><o:p></o:p></span></span></span></span></p>
     5433
     5434<span style='mso-bookmark:PKS_Instrument_Parameters'></span>
     5435
     5436<h4><a name="PKS_Index_Peak_List">Index Peak List</a></h4>
     5437
     5438<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     5439style='mso-bookmark:PKS_Index_Peak_List'><span style='mso-fareast-font-family:
     5440"Times New Roman"'>This window shows the list of peaks that will be used for
     5441indexing (see </span></span><a href="#Unit_Cells_List"><span style='mso-bookmark:
     5442PKS_Index_Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
     5443color:windowtext;text-decoration:none;text-underline:none'>Unit Cells List</span></span><span
     5444style='mso-bookmark:PKS_Index_Peak_List'></span></a><span style='mso-bookmark:
     5445PKS_Index_Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>).
     5446It was filled when the import of the peaks list was done. It shows 2Q position
     5447as input or calculated from provided d-spacing and wavelength given in Instrument
     5448Parameters. Note that peaks from a neutron TOF pattern could be entered here as
     5449d-spacings in descending order and a suitable wavelength used in the Instrument
     5450Parameters. When indexing is completed, this display will show the resulting
     5451hkl values for every indexed reflection along with the calculated d-spacing (‘d-calc’)
     5452for the selected unit cell in </span></span><a href="#Unit_Cells_List"><span
     5453style='mso-bookmark:PKS_Index_Peak_List'><b><span style='mso-fareast-font-family:
     5454"Times New Roman"'>Unit Cells List</span></b></span><span style='mso-bookmark:
     5455PKS_Index_Peak_List'></span></a><span style='mso-bookmark:PKS_Index_Peak_List'><span
     5456style='mso-fareast-font-family:"Times New Roman"'>.</span> </span><span
     5457style='mso-bookmark:PKS_Index_Peak_List'><span style='mso-fareast-font-family:
     5458"Times New Roman"'>.<span class=MsoHyperlink><span style='color:windowtext;
     5459text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     5460
     5461<h5 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     5462style='mso-bookmark:PKS_Index_Peak_List'><span style='mso-fareast-font-family:
     5463"Times New Roman"'>What can I do here?<span class=MsoHyperlink><span
     5464style='color:#4F4FFF;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     5465
     5466<p class=MsoListParagraph style='margin-left:.75in;mso-add-space:auto;
     5467text-indent:-.25in;mso-list:l15 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5468style='mso-bookmark:PKS_Index_Peak_List'><![if !supportLists]><span
     5469style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
     5470style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
     5471style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
     5472peaks from indexing by unchecking the corresponding ‘use’ box.<o:p></o:p></span></span></p>
     5473
     5474<span style='mso-bookmark:PKS_Index_Peak_List'></span>
     5475
     5476<h4><a name="PKS_Unit_Cells_List">Unit Cells List</a></h4>
     5477
     5478<p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     5479style='mso-bookmark:PKS_Unit_Cells_List'><span style='mso-fareast-font-family:
     5480"Times New Roman"'>This tree item has several purposes, it can be used to
     5481perform autoindexing and it can be used to show the positions of peaks from
     5482unit cells which may be results from autoindexing or may be entered from a
     5483phase or manually. It can be used to refine unit cell parameters. It can also
     5484be used to search for cells/symmetry settings related to a specified unit cell
     5485&amp; space group. <o:p></o:p></span></span></p>
     5486
     5487<h5 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
     5488style='mso-bookmark:PKS_Unit_Cells_List'><span style='mso-fareast-font-family:
     5489"Times New Roman"'>What can I do here?</span><span class=MsoHyperlink><span
     5490style='color:#4F4FFF;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
     5491
     5492<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'><span
     5493style='mso-bookmark:PKS_Unit_Cells_List'><b>For autoindexing</b>, the peaks in
     5494the </span><a href="#Index_Peak_List"><span style='mso-bookmark:PKS_Unit_Cells_List'>Index
     5495Peak List</span><span style='mso-bookmark:PKS_Unit_Cells_List'></span></a><span
     5496style='mso-bookmark:PKS_Unit_Cells_List'> are used. Select one or more Bravais
     5497lattice types to use and use the &quot;Cell Index/Refine&quot;/&quot;Index
     5498Cell&quot; menu command to start indexing. Output will appear on the console
     5499and a progress bar dialog will appear which tracks trial volume. A <b
     5500style='mso-bidi-font-weight:normal'>Cancel</b> button will terminate indexing;
     5501it may need to be pressed more than once to fully terminate the indexing
     5502process. Console output shows possible solutions with a computed <b>M20</b> for
     5503each; good solutions are indicated by high <b>M20</b> values. <b
     5504style='mso-bidi-font-weight:normal'>X20</b> gives number of unindexed lines out
     5505of the 1<sup>st</sup> 20 lines and <b>Nc</b> gives total number of reflections
     5506generated for each solution. <o:p></o:p></span></p>
     5507
     5508<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'><span
     5509style='mso-bookmark:PKS_Unit_Cells_List'>The &quot;Copy Cell&quot; menu command
     5510copies a selected solution to the Unit cell values; the Bravais lattice shown
     5511for the choice is copied. Press <b style='mso-bidi-font-weight:normal'>Show hkl
     5512positions</b> to generate the allowed reflection positions, which are visually
     5513superimposed on the displayed powder pattern to visually confirm the indexing.
     5514Pay particular attention to any unmatched peaks in the pattern. A <b
     5515style='mso-bidi-font-weight:normal'>Space group</b> can be selected from the
     5516pulldown box to remove reflections based on space group extinctions and
     5517visually eliminate possibilities. <o:p></o:p></span></p>
     5518
     5519<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5520margin-left:.95in;text-indent:-.25in;mso-list:l14 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5521style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5522style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
     5523style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     5524style='mso-fareast-font-family:"Times New Roman"'>Max Nc/Nobs: – this controls
     5525the extent of the search for the correct indexing. This may need to be
     5526increased if an indexing trial terminates too quickly. It rarely needs to be
     5527changed. <o:p></o:p></span></span></p>
     5528
     5529<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5530margin-left:.95in;text-indent:-.25in;mso-list:l14 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5531style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5532style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
     5533style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     5534style='mso-fareast-font-family:"Times New Roman"'>Start Volume: – this sets an
     5535initial unit cell volume for the indexing. It rarely needs to be changed. <o:p></o:p></span></span></p>
     5536
     5537<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5538margin-left:.95in;text-indent:-.25in;mso-list:l14 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5539style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5540style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
     5541style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     5542style='mso-fareast-font-family:"Times New Roman"'>Select &quot;keep&quot; in
     5543the table for a cell that should be preserved when an additional indexing run
     5544is tried; all without that are erased before the indexing trial begins. <o:p></o:p></span></span></p>
     5545
     5546<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'><span
     5547style='mso-bookmark:PKS_Unit_Cells_List'><b>To display a unit cell</b>,
     5548optionally with space group extinctions, set a Bravais class to determine a
     5549unit cell type (see </span><a href="#Laue_List"><span style='mso-bookmark:PKS_Unit_Cells_List'>list
     5550below</span><span style='mso-bookmark:PKS_Unit_Cells_List'></span></a><span
     5551style='mso-bookmark:PKS_Unit_Cells_List'>), optionally select a space group (by
     5552default the highest symmetry space group for the class is selected) and enter
     5553the unit cell parameters. Or use the &quot;Cell Index/Refine&quot;/&quot;Load
     5554Phase&quot; menu command to read this information from a phase that has been
     5555read into a project or from a file (such as a CIF) using the &quot;Cell
     5556Index/Refine&quot;/&quot;Import Cell&quot; menu command. <o:p></o:p></span></p>
     5557
     5558<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'><span
     5559style='mso-bookmark:PKS_Unit_Cells_List'><b>For symmetry exploration</b>, once
     5560a phase/cell has been loaded, use the &quot;Run SUBGROUPS&quot;, &quot;Cell
     5561Symmetry Search&quot; or &quot;Run k-SUBGROUPSMAG&quot; commands from the
     5562&quot;Cell Index/Refine&quot; menu. These commands look for: subgroups, lower
     5563symmetry cells or magnetic subgroups, respectively. Also note the
     5564&quot;Transform Cell&quot; command in that menu that can perform many common
     5565lattice transformations, apply a user-supplied cell transformation or create a
     5566magnetic phase. <o:p></o:p></span></p>
     5567
     5568<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'><span
     5569style='mso-bookmark:PKS_Unit_Cells_List'><b>To optimize a cell</b>, to fit the
     5570peaks in the </span><a href="#Index_Peak_List"><span style='mso-bookmark:PKS_Unit_Cells_List'>Index
     5571Peak List</span><span style='mso-bookmark:PKS_Unit_Cells_List'></span></a><span
     5572style='mso-bookmark:PKS_Unit_Cells_List'>, use the &quot;Cell
     5573Index/Refine&quot;/&quot;Refine Cell&quot; menu command. The results will be
     5574placed in the <b>Indexing Result</b> table with ‘<b>use’</b> selected. <o:p></o:p></span></p>
     5575
     5576<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'><span
     5577style='mso-bookmark:PKS_Unit_Cells_List'><b>Other</b>: The &quot;Make new
     5578phase&quot; command creates a new phase from the selected unit cell and chosen
     5579space group. A dialog box will appear asking for a name for this phase. See the
     5580new entry under Phases and the new lattice parameters will be in the </span><a
     5581href="#General"><span style='mso-bookmark:PKS_Unit_Cells_List'>General </span><span
     5582style='mso-bookmark:PKS_Unit_Cells_List'></span></a><span style='mso-bookmark:
     5583PKS_Unit_Cells_List'>window for that phase. <o:p></o:p></span></p>
     5584
     5585<p 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
     5586style='mso-bookmark:PKS_Unit_Cells_List'><a name="Laue_List"><b>GSAS-II Laue
     5587classes</b> (note that some redundant entries are included for convenience.)<o:p></o:p></a></span></p>
     5588
     5589<span style='mso-bookmark:Laue_List'></span>
     5590
     5591<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5592margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5593style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5594style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5595mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5596style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5597</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Cubic:
     5598Fm3m, Im3m &amp; Pm3m <o:p></o:p></span></span></p>
     5599
     5600<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5601margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5602style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5603style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5604mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5605style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5606</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Rhombohedral:
     5607R3-H (hexagonal axes) <o:p></o:p></span></span></p>
     5608
     5609<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5610margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5611style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5612style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5613mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5614style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5615</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Hexagonal:
     5616P6/mmm <o:p></o:p></span></span></p>
     5617
     5618<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5619margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5620style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5621style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5622mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5623style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5624</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Tetragonal:
     5625I4/mmm, P4/mmm <o:p></o:p></span></span></p>
     5626
     5627<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5628margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5629style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5630style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5631mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5632style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5633</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Orthorhombic:
     5634Fmmm, Immm, Ammm, Bmmm, Cmmm, Pmmm <o:p></o:p></span></span></p>
     5635
     5636<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5637margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5638style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5639style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5640mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5641style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5642</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Monoclinic:
     5643I2/m, A2/m, C2/m, P2/m (b-unique) <o:p></o:p></span></span></p>
     5644
     5645<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
     5646margin-left:1.0in;text-indent:-.25in;mso-list:l2 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     5647style='mso-bookmark:PKS_Unit_Cells_List'><![if !supportLists]><span
     5648style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
     5649mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
     5650style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5651</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Triclinic:
     5652P1, C1 <o:p></o:p></span></span></p>
     5653
     5654<span style='mso-bookmark:PKS_Unit_Cells_List'></span>
     5655
    51495656<h2 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
    51505657name=SASD><span style='mso-fareast-font-family:"Times New Roman"'>6F. Small
     
    51525659"Times New Roman"'><o:p></o:p></span></h2>
    51535660
     5661<h4><span style='mso-fareast-font-family:"Times New Roman"'>Comments<o:p></o:p></span></h4>
     5662
     5663<p class=MsoNormal style='margin-left:.25in'>This window shows whatever comment
     5664lines found above the QIE table when the small angle data file was read by
     5665GSAS-II. If you are lucky, there will be useful information here (e.g. sample
     5666name, date collected, wavelength used, etc.). If not, this window will be
     5667blank. The text is read-only.</p>
     5668
     5669<h4><a name="SASD_Limits">Limits</a></h4>
     5670
     5671<span style='mso-bookmark:SASD_Limits'></span>
     5672
     5673<h4><a name="SASD_Instrument_Parameters">Instrument Parameters</a></h4>
     5674
     5675<h4><a name="SASD_Substances">Substances</a></h4>
     5676
     5677<span style='mso-bookmark:SASD_Substances'></span>
     5678
     5679<h4><a name="SASD_Sample_Parameters">Sample Parameters</a></h4>
     5680
     5681<span style='mso-bookmark:SASD_Sample_Parameters'></span>
     5682
     5683<h4><a name="SASD_Models">Models</a></h4>
     5684
     5685<span style='mso-bookmark:SASD_Models'></span>
     5686
    51545687<h2 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
    51555688style='mso-fareast-font-family:"Times New Roman"'>6G. Reflectometry Data – type
    5156 REFD<o:p></o:p></span></h2>
     5689<a name=REFD>REFD</a><o:p></o:p></span></h2>
     5690
     5691<h4><span style='mso-fareast-font-family:"Times New Roman"'>Comments<o:p></o:p></span></h4>
     5692
     5693<p class=MsoNormal style='margin-left:.25in'>This window shows whatever comment
     5694lines found above the QIE table when the reflectometry data file was read by
     5695GSAS-II. If you are lucky, there will be useful information here (e.g. sample
     5696name, date collected, wavelength used, etc.). If not, this window will be
     5697blank. The text is read-only.</p>
     5698
     5699<h4><a name="REFD_Limits">Limits</a></h4>
     5700
     5701<span style='mso-bookmark:REFD_Limits'></span>
     5702
     5703<h4><a name="REFD_Substances">Substances</a></h4>
     5704
     5705<span style='mso-bookmark:REFD_Substances'></span>
     5706
     5707<h4><a name="REFD_Sample_Parameters">Sample Parameters</a></h4>
     5708
     5709<span style='mso-bookmark:REFD_Sample_Parameters'></span>
     5710
     5711<h4><a name="REFD_Models">Models</a></h4>
     5712
     5713<span style='mso-bookmark:REFD_Models'></span>
    51575714
    51585715<div class=MsoNormal align=center style='text-align:center;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 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
     
    52345791
    52355792<h3 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
    5236 name=fullrmc><strong>Access to </strong></a><span class=SpellE><span
    5237 style='mso-bookmark:fullrmc'><strong>fullrmc</strong></span></span><span
    5238 style='mso-bookmark:fullrmc'></span></h3>
     5793name=fullrmc><strong>Access to fullrmc</strong></a></h3>
    52395794
    52405795<span style='mso-bookmark:fullrmc'></span>
    52415796
    52425797<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'>The
    5243 <span class=SpellE>fullrmc</span> program is a large-box pair distribution
    5244 function modeling library developed by Bachir Aoun [&quot;<span class=SpellE>Fullrmc</span>,
    5245 a Rigid Body Reverse Monte Carlo Modeling Package Enabled with Machine Learning
    5246 and Artificial Intelligence&quot;, B. Aoun, <i>Jour. Comp. Chem.</i> <b>(2016)</b>,
    5247 37, 1102-1111. DOI: <a href="https://doi.org/10.1002/jcc.24304">10.1002/jcc.24304</a>].
    5248 Extensive information about <span class=SpellE>fullrmc</span> is found,
    5249 including a number of explanatory videos, along with the source code on GitHub:
    5250 <a href="https://bachiraoun.github.io/fullrmc/">https://bachiraoun.github.io/fullrmc/</a>.
    5251 Use of <span class=SpellE>fullrmc</span> requires a set of Python packages that
    5252 can be installed along with the packages needed for GSAS-II, but Windows and
    5253 MacOS users will likely find it easier to install a pre-compiled version of <span
    5254 class=SpellE>fullrmc</span> by downloading it <a
     5798fullrmc program is a large-box pair distribution function modeling library
     5799developed by Bachir Aoun [&quot;Fullrmc, a Rigid Body Reverse Monte Carlo
     5800Modeling Package Enabled with Machine Learning and Artificial
     5801Intelligence&quot;, B. Aoun, <i>Jour. Comp. Chem.</i> <b>(2016)</b>, 37,
     58021102-1111. DOI: <a href="https://doi.org/10.1002/jcc.24304">10.1002/jcc.24304</a>].
     5803Extensive information about fullrmc is found, including a number of explanatory
     5804videos, along with the source code on GitHub: <a
     5805href="https://bachiraoun.github.io/fullrmc/">https://bachiraoun.github.io/fullrmc/</a>.
     5806Use of fullrmc requires a set of Python packages that can be installed along
     5807with the packages needed for GSAS-II, but Windows and MacOS users will likely
     5808find it easier to install a pre-compiled version of fullrmc by downloading it <a
    52555809href="https://drive.google.com/drive/folders/10hxmQviKoMaW9R4MxsaiDyPSretxr_P7">from
    5256 here</a>. To locate a version of Python containing <span class=SpellE>fullrmc</span>,
    5257 the following locations are checked (in the order specified): </p>
     5810here</a>. To locate a version of Python containing fullrmc, the following
     5811locations are checked (in the order specified): </p>
    52585812
    52595813<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5260 margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5814margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    52615815style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    52625816style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    52635817style='mso-fareast-font-family:"Times New Roman"'>The GSAS-II <a
    5264 href="#Preferences">configuration variable</a> </span><span class=SpellE><tt><span
    5265 style='font-size:10.0pt'>fullrmc_exec</span></tt></span><span style='mso-fareast-font-family:
     5818href="#Preferences">configuration variable</a> </span><tt><span
     5819style='font-size:10.0pt'>fullrmc_exec</span></tt><span style='mso-fareast-font-family:
    52665820"Times New Roman"'> can point to a Python image. <o:p></o:p></span></p>
    52675821
    52685822<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5269 margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5823margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    52705824style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    52715825style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    52725826style='mso-fareast-font-family:"Times New Roman"'>The Python interpreter
    5273 running GSAS-II is checked if <span class=SpellE>fullrmc</span> can be imported
    5274 <o:p></o:p></span></p>
     5827running GSAS-II is checked if fullrmc can be imported <o:p></o:p></span></p>
    52755828
    52765829<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    5277 margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
     5830margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
    52785831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    52795832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    52825835GSAS-II binaries are found, the current default location and all directories in
    52835836the system path are all checked for a file named </span><tt><span
    5284 style='font-size:10.0pt'>&quot;<span class=SpellE>fullrmc</span>*macOS*i386-64bit&quot;</span></tt><span
     5837style='font-size:10.0pt'>&quot;fullrmc*macOS*i386-64bit&quot;</span></tt><span
    52855838style='mso-fareast-font-family:"Times New Roman"'> (MacOS), </span><tt><span
    5286 style='font-size:10.0pt'>&quot;<span class=SpellE>fullrmc</span>*.exe&quot;</span></tt><span
     5839style='font-size:10.0pt'>&quot;fullrmc*.exe&quot;</span></tt><span
    52875840style='mso-fareast-font-family:"Times New Roman"'> (Windows) or </span><tt><span
    5288 style='font-size:10.0pt'>&quot;<span class=SpellE>fullrmc</span>*&quot;</span></tt><span
     5841style='font-size:10.0pt'>&quot;fullrmc*&quot;</span></tt><span
    52895842style='mso-fareast-font-family:"Times New Roman"'> (Linux). <o:p></o:p></span></p>
    52905843
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