Changeset 515
- Timestamp:
- Mar 7, 2012 10:30:29 AM (12 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
-
GSASII.py (modified) (1 diff)
-
GSASIIplot.py (modified) (4 diffs)
-
help/gsasII.html (modified) (121 diffs)
Legend:
- Unmodified
- Added
- Removed
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trunk/GSASII.py
r501 r515 1573 1573 else: 1574 1574 parmDict[parm] = [parmDict[parm],'False'] 1575 parmDict[' Num refined'] = [len(varyList),''] 1575 1576 dlg = self.ViewParmDialog(self,'Parameters for least squares',parmDict) 1576 1577 try: -
trunk/GSASIIplot.py
r513 r515 341 341 G2frame.Offset[0] = 0 342 342 G2frame.logPlot = True 343 newPlot = True 343 344 elif event.key == 'u': 344 345 if G2frame.Contour: … … 776 777 plotNum = G2frame.G2plotNB.plotList.index('Error analysis') 777 778 Page = G2frame.G2plotNB.nb.GetPage(plotNum) 779 Page.figure.clf() 778 780 Plot = Page.figure.gca() #get a fresh plot after clf() 779 781 except ValueError: … … 793 795 DS = xye[5][xmin:xmax]*np.sqrt(xye[2][xmin:xmax]) 794 796 Page.SetFocus() 795 Page.figure.clf()796 Plot1 = Page.figure.add_subplot(211)797 Page.figure.subplots_adjust(hspace=0.25)798 797 G2frame.G2plotNB.status.DestroyChildren() 799 Plot1.set_title(r'$\mathsf{\Delta/\sigma}$ analysis')800 Plot1.set_xlabel(r'$\mathsf{2\theta}$',fontsize=14)801 Plot1.set_ylabel(r'$\mathsf{\Delta/\sigma}$',fontsize=14)802 Plot1.plot(X,DS,'k',picker=False)803 798 DS.sort() 804 799 EDS = np.zeros_like(DS) 805 800 DX = np.linspace(0.,1.,num=len(DS),endpoint=True) 806 T = np.where(DX != 0.0,np.sqrt(np.log(1.0/DX**2)),0.0) 801 oldErr = np.seterr(invalid='ignore') #avoid problem at DX==0 802 T = np.sqrt(np.log(1.0/DX**2)) 807 803 top = 2.515517+0.802853*T+0.010328*T**2 808 804 bot = 1.0+1.432788*T+0.189269*T**2+0.001308*T**3 809 805 EDS = np.where(DX>0,-(T-top/bot),(T-top/bot)) 810 EDS = np.where(DX==0.,0.,EDS) 811 Plot2 = Page.figure.add_subplot(212) 812 Plot2.set_xlabel(r'expected $\mathsf{\Delta/\sigma}$',fontsize=14) 813 Plot2.set_ylabel(r'observed $\mathsf{\Delta/\sigma}$',fontsize=14) 814 Plot2.plot(EDS,DS,'r+') 806 low1 = np.searchsorted(EDS,-1.) 807 hi1 = np.searchsorted(EDS,1.) 808 slp,intcp = np.polyfit(EDS[low1:hi1],DS[low1:hi1],deg=1) 809 frac = 100.*(hi1-low1)/len(DS) 810 G2frame.G2plotNB.status.SetStatusText( \ 811 'Over range -1. to 1. :'+' slope = %.3f, intercept = %.3f for %.2f%% of the fitted data'%(slp,intcp,frac),1) 812 Plot.set_title('Normal probability for '+Pattern[-1]) 813 Plot.set_xlabel(r'expected $\mathsf{\Delta/\sigma}$',fontsize=14) 814 Plot.set_ylabel(r'observed $\mathsf{\Delta/\sigma}$',fontsize=14) 815 Plot.plot(EDS,DS,'r+',label='result') 816 Plot.plot([-2,2],[-2,2],'k',dashes=(5,5),label='ideal') 817 Plot.legend(loc='upper left') 818 np.seterr(invalid='warn') 815 819 Page.canvas.draw() 816 820 … … 1277 1281 Page = G2frame.G2plotNB.nb.GetPage(plotNum) 1278 1282 Page.SetFocus() 1279 G2frame.G2plotNB.status.SetStatusText(' Adjust frame size to get desired aspect ratio',1)1283 G2frame.G2plotNB.status.SetStatusText('',1) 1280 1284 if not Page.IsShown(): 1281 1285 Page.Show() -
trunk/help/gsasII.html
r493 r515 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>6 1</o:Revision>28 <o:TotalTime>2 337</o:TotalTime>27 <o:Revision>64</o:Revision> 28 <o:TotalTime>2433</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-0 2-24T18:50:00Z</o:LastSaved>31 <o:Pages> 6</o:Pages>32 <o:Words> 4737</o:Words>33 <o:Characters> 27001</o:Characters>30 <o:LastSaved>2012-03-06T18:26:00Z</o:LastSaved> 31 <o:Pages>7</o:Pages> 32 <o:Words>5264</o:Words> 33 <o:Characters>30011</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>2 25</o:Lines>36 <o:Paragraphs> 63</o:Paragraphs>37 <o:CharactersWithSpaces>3 1675</o:CharactersWithSpaces>35 <o:Lines>250</o:Lines> 36 <o:Paragraphs>70</o:Paragraphs> 37 <o:CharactersWithSpaces>35205</o:CharactersWithSpaces> 38 38 <o:Version>12.00</o:Version> 39 39 </o:DocumentProperties> … … 429 429 font-weight:bold;} 430 430 h4 431 {mso-style-priority:9; 431 {mso-style-noshow:yes; 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1440 1552 mso-level-number-position:left; 1441 1553 text-indent:-.25in;} 1442 @list l1 5:level91554 @list l19:level9 1443 1555 {mso-level-tab-stop:4.5in; 1444 1556 mso-level-number-position:left; 1445 1557 text-indent:-.25in;} 1446 @list l 161558 @list l20 1447 1559 {mso-list-id:2029942403; 1448 1560 mso-list-template-ids:1555050902;} 1449 @list l 16:level11561 @list l20:level1 1450 1562 {mso-level-tab-stop:none; 1451 1563 mso-level-number-position:left; 1452 1564 text-indent:-.25in;} 1453 @list l 16:level21565 @list l20:level2 1454 1566 {mso-level-tab-stop:1.0in; 1455 1567 mso-level-number-position:left; 1456 1568 text-indent:-.25in;} 1457 @list l 16:level31569 @list l20:level3 1458 1570 {mso-level-tab-stop:1.5in; 1459 1571 mso-level-number-position:left; 1460 1572 text-indent:-.25in;} 1461 @list l 16:level41573 @list l20:level4 1462 1574 {mso-level-tab-stop:2.0in; 1463 1575 mso-level-number-position:left; 1464 1576 text-indent:-.25in;} 1465 @list l 16:level51577 @list l20:level5 1466 1578 {mso-level-tab-stop:2.5in; 1467 1579 mso-level-number-position:left; 1468 1580 text-indent:-.25in;} 1469 @list l 16:level61581 @list l20:level6 1470 1582 {mso-level-tab-stop:3.0in; 1471 1583 mso-level-number-position:left; 1472 1584 text-indent:-.25in;} 1473 @list l 16:level71585 @list l20:level7 1474 1586 {mso-level-tab-stop:3.5in; 1475 1587 mso-level-number-position:left; 1476 1588 text-indent:-.25in;} 1477 @list l 16:level81589 @list l20:level8 1478 1590 {mso-level-tab-stop:4.0in; 1479 1591 mso-level-number-position:left; 1480 1592 text-indent:-.25in;} 1481 @list l 16:level91593 @list l20:level9 1482 1594 {mso-level-tab-stop:4.5in; 1483 1595 mso-level-number-position:left; 1484 1596 text-indent:-.25in;} 1485 @list l 171597 @list l21 1486 1598 {mso-list-id:2095858496; 1487 1599 mso-list-type:hybrid; 1488 1600 mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1489 @list l 17:level11601 @list l21:level1 1490 1602 {mso-level-tab-stop:none; 1491 1603 mso-level-number-position:left; 1492 1604 text-indent:-.25in;} 1493 @list l 17:level21605 @list l21:level2 1494 1606 {mso-level-tab-stop:1.0in; 1495 1607 mso-level-number-position:left; 1496 1608 text-indent:-.25in;} 1497 @list l 17:level31609 @list l21:level3 1498 1610 {mso-level-tab-stop:1.5in; 1499 1611 mso-level-number-position:left; 1500 1612 text-indent:-.25in;} 1501 @list l 17:level41613 @list l21:level4 1502 1614 {mso-level-tab-stop:2.0in; 1503 1615 mso-level-number-position:left; 1504 1616 text-indent:-.25in;} 1505 @list l 17:level51617 @list l21:level5 1506 1618 {mso-level-tab-stop:2.5in; 1507 1619 mso-level-number-position:left; 1508 1620 text-indent:-.25in;} 1509 @list l 17:level61621 @list l21:level6 1510 1622 {mso-level-tab-stop:3.0in; 1511 1623 mso-level-number-position:left; 1512 1624 text-indent:-.25in;} 1513 @list l 17:level71625 @list l21:level7 1514 1626 {mso-level-tab-stop:3.5in; 1515 1627 mso-level-number-position:left; 1516 1628 text-indent:-.25in;} 1517 @list l 17:level81629 @list l21:level8 1518 1630 {mso-level-tab-stop:4.0in; 1519 1631 mso-level-number-position:left; 1520 1632 text-indent:-.25in;} 1521 @list l 17:level91633 @list l21:level9 1522 1634 {mso-level-tab-stop:4.5in; 1523 1635 mso-level-number-position:left; 1524 1636 text-indent:-.25in;} 1525 @list l 181637 @list l22 1526 1638 {mso-list-id:2096583681; 1527 1639 mso-list-type:hybrid; 1528 mso-list-template-ids:- 39371273467698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1529 @list l 18:level11640 mso-list-template-ids:-17298958 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1641 @list l22:level1 1530 1642 {mso-level-tab-stop:none; 1531 1643 mso-level-number-position:left; 1532 1644 text-indent:-.25in;} 1533 @list l18:level2 1534 {mso-level-tab-stop:1.0in; 1535 mso-level-number-position:left; 1536 text-indent:-.25in;} 1537 @list l18:level3 1645 @list l22:level2 1646 {mso-level-number-format:alpha-lower; 1647 mso-level-tab-stop:1.0in; 1648 mso-level-number-position:left; 1649 text-indent:-.25in;} 1650 @list l22:level3 1538 1651 {mso-level-tab-stop:1.5in; 1539 1652 mso-level-number-position:left; 1540 1653 text-indent:-.25in;} 1541 @list l 18:level41654 @list l22:level4 1542 1655 {mso-level-tab-stop:2.0in; 1543 1656 mso-level-number-position:left; 1544 1657 text-indent:-.25in;} 1545 @list l 18:level51658 @list l22:level5 1546 1659 {mso-level-tab-stop:2.5in; 1547 1660 mso-level-number-position:left; 1548 1661 text-indent:-.25in;} 1549 @list l 18:level61662 @list l22:level6 1550 1663 {mso-level-tab-stop:3.0in; 1551 1664 mso-level-number-position:left; 1552 1665 text-indent:-.25in;} 1553 @list l 18:level71666 @list l22:level7 1554 1667 {mso-level-tab-stop:3.5in; 1555 1668 mso-level-number-position:left; 1556 1669 text-indent:-.25in;} 1557 @list l 18:level81670 @list l22:level8 1558 1671 {mso-level-tab-stop:4.0in; 1559 1672 mso-level-number-position:left; 1560 1673 text-indent:-.25in;} 1561 @list l 18:level91674 @list l22:level9 1562 1675 {mso-level-tab-stop:4.5in; 1563 1676 mso-level-number-position:left; … … 1590 1703 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1591 1704 <!--[if gte mso 9]><xml> 1592 <o:shapedefaults v:ext="edit" spidmax="1 2290"/>1705 <o:shapedefaults v:ext="edit" spidmax="13314"/> 1593 1706 </xml><![endif]--><!--[if gte mso 9]><xml> 1594 1707 <o:shapelayout v:ext="edit"> … … 1621 1734 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1622 1735 <o:lock v:ext="edit" aspectratio="t"/> 1623 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s104 1" type="#_x0000_t75"1736 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1042" type="#_x0000_t75" 1624 1737 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1625 1738 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; … … 1662 1775 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 1663 1776 is a hierarchical view of the data items in your GSAS-II project (name.gpx). 1664 Clicking on any item in the window opens a view where information in that item1777 Clicking on any item in the tree opens a window where information in that item 1665 1778 can be viewed or edited. For example, the <a href="#Sample_Parameters">"Sample 1666 Parameters"</a> item contains information about how data were collected, 1667 such as the sample temperature <a href="#Sample_Parameters">(see below)</a>. <o:p></o:p></span></p> 1779 Parameters"</a> item under a ‘PWDR’ entry contains information 1780 about how data were collected, such as the sample temperature <a 1781 href="#Sample_Parameters">(see below)</a>. The arrow keys (up & down) move the 1782 selection to successive entries in the data tree; both the data window and the 1783 associated plot (if any) will change.<o:p></o:p></span></p> 1668 1784 1669 1785 <h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4> … … 1673 1789 as outlined below: <o:p></o:p></span></p> 1674 1790 1675 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 7level1 lfo1'><![if !supportLists]><span1791 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo1'><![if !supportLists]><span 1676 1792 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1677 1793 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1679 1795 1680 1796 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1681 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1797 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1682 1798 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1683 1799 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1692 1808 1693 1809 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1694 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1810 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1695 1811 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1696 1812 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1697 1813 style='mso-bidi-font-weight:normal'>Save project</b> – Save the current 1698 project. If a file name is shown after ‘Loaded <span class=GramE>Data:’<span 1699 style='mso-fareast-font-family:"Times New Roman"'>,</span></span><span 1700 style='mso-fareast-font-family:"Times New Roman"'> it will be saved there. 1701 Otherwise, you will be prompted for a new name in a file dialog (you may change 1702 directory as well). If the file exists, you will be asked if it OK to 1814 project. If a file name is shown after ‘Loaded Data:’ in the data 1815 tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved 1816 there. Otherwise, you will be prompted for a new name in a file dialog (you may 1817 change directory as well). If the file exists, you will be asked if it OK to 1703 1818 overwrite.</span></p> 1704 1819 1705 1820 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1706 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1821 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1707 1822 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1708 1823 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1714 1829 1715 1830 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1716 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1831 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1717 1832 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1718 1833 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1723 1838 1724 1839 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1725 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1840 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1726 1841 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1727 1842 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1732 1847 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1733 1848 1734 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 7level1 lfo1'><![if !supportLists]><span1849 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo1'><![if !supportLists]><span 1735 1850 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1736 1851 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1738 1853 1739 1854 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1740 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1855 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1741 1856 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1742 1857 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1752 1867 1753 1868 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1754 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1869 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1755 1870 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1756 1871 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1765 1880 1766 1881 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1767 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1882 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1768 1883 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1769 1884 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1774 1889 1775 1890 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1776 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1891 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1777 1892 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1778 1893 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1780 1895 1781 1896 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1782 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1897 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1783 1898 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1784 1899 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1786 1901 1787 1902 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1788 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1903 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1789 1904 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1790 1905 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1792 1907 1793 1908 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1794 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1909 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1795 1910 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 1796 1911 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1798 1913 1799 1914 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1800 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1915 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1801 1916 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 1802 1917 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1804 1919 1805 1920 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1806 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1921 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1807 1922 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 1808 1923 style='font:7.0pt "Times New Roman"'> … … 1811 1926 1812 1927 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1813 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1928 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1814 1929 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 1815 1930 style='font:7.0pt "Times New Roman"'> … … 1817 1932 data</b> - </p> 1818 1933 1819 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 7level1 lfo1'><![if !supportLists]><span1934 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo1'><![if !supportLists]><span 1820 1935 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1821 1936 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1823 1938 1824 1939 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1825 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1940 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1826 1941 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1827 1942 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1829 1944 1830 1945 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1831 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1946 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1832 1947 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1833 1948 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1836 1951 1837 1952 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1838 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1953 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1839 1954 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1840 1955 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1842 1957 1843 1958 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1844 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1959 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1845 1960 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1846 1961 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1848 1963 1849 1964 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1850 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1965 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1851 1966 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1852 1967 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1853 1968 style='mso-bidi-font-weight:normal'>Solve</b> - </p> 1854 1969 1855 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 7level1 lfo1'><![if !supportLists]><span1970 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo1'><![if !supportLists]><span 1856 1971 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1857 1972 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1859 1974 1860 1975 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1861 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span1976 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1862 1977 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1863 1978 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1864 style='mso-bidi-font-weight:normal'>Import Phase (generic)…</b> - </p> 1865 1866 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1867 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1868 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1869 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1870 style='mso-bidi-font-weight:normal'>Import Phase (specific)</b></p> 1979 style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p> 1871 1980 1872 1981 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1873 auto;text-indent:-.25in;mso-list:l 7level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1982 auto;text-indent:-.25in;mso-list:l10 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1874 1983 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1875 1984 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1877 1986 1878 1987 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1879 auto;text-indent:-.25in;mso-list:l 7level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1988 auto;text-indent:-.25in;mso-list:l10 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1880 1989 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1881 1990 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1883 1992 1884 1993 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1885 auto;text-indent:-.25in;mso-list:l 7level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1994 auto;text-indent:-.25in;mso-list:l10 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1886 1995 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1887 1996 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1889 1998 1890 1999 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1891 auto;text-indent:-.25in;mso-list:l 7level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span2000 auto;text-indent:-.25in;mso-list:l10 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1892 2001 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1893 2002 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1895 2004 1896 2005 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1897 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 2006 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 2007 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2008 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2009 style='mso-bidi-font-weight:normal'>Import Powder Pattern…</b> - </p> 2010 2011 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2012 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1898 2013 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1899 2014 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1900 style='mso-bidi-font-weight:normal'>Import Powder Pattern…</b> - </p>1901 1902 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:1903 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span1904 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span1905 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b1906 2015 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 1907 2016 1908 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 7level1 lfo1'><![if !supportLists]><span2017 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo1'><![if !supportLists]><span 1909 2018 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 1910 2019 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1912 2021 1913 2022 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1914 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2023 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1915 2024 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1916 2025 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1918 2027 1919 2028 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1920 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2029 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1921 2030 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1922 2031 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1924 2033 1925 2034 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1926 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2035 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1927 2036 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1928 2037 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1930 2039 1931 2040 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1932 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2041 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1933 2042 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1934 2043 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1936 2045 1937 2046 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1938 auto;text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2047 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1939 2048 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1940 2049 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1942 2051 1943 2052 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 1944 text-indent:-.25in;mso-list:l 7level2 lfo1'><![if !supportLists]><span2053 text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1945 2054 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1946 2055 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2008 2117 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2009 2118 2010 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2119 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2011 2120 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2012 2121 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2020 2129 Hessian’ for routine work.<o:p></o:p></span></p> 2021 2130 2022 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2131 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2023 2132 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2024 2133 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2030 2139 to 1.0.<o:p></o:p></span></p> 2031 2140 2032 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2141 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2033 2142 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2034 2143 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2042 2151 performance.<o:p></o:p></span></p> 2043 2152 2044 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2153 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2045 2154 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2046 2155 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2054 2163 cycles.<o:p></o:p></span></p> 2055 2164 2056 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 1level1 lfo2'><![if !supportLists]><span2165 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span 2057 2166 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2058 2167 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2085 2194 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2086 2195 2087 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 3level1 lfo3'><![if !supportLists]><span2196 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span 2088 2197 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2089 2198 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2092 2201 the ‘Edit menu.<o:p></o:p></span></p> 2093 2202 2094 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo3'><![if !supportLists]><span2203 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span 2095 2204 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2096 2205 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2099 2208 2100 2209 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2101 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2210 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2102 2211 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2103 2212 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2117 2226 2118 2227 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2119 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2228 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2120 2229 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2121 2230 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2136 2245 2137 2246 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2138 auto;text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2247 auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2139 2248 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2140 2249 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2154 2263 2155 2264 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2156 text-indent:-.25in;mso-list:l1 3level2 lfo3'><![if !supportLists]><span2265 text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span 2157 2266 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2158 2267 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2180 2289 2181 2290 <p class=MsoNormal>In this window is tabulated the results of your sequential 2182 refinement. The columns are the parameter names; the naming convention is ‘p<span 2183 class=GramE>:h:name:n’</span> where p is the phase number, h is the 2184 histogram number, name is the parameter name, and num (if needed) is the item 2185 number (e.g. atom number). The rows are the data sets used in the sequential refinement.</p> 2291 refinement. The columns are the parameter names; the naming convention is 2292 ‘p<span class=GramE>:h:name:n’</span> where p is the phase number, 2293 h is the histogram number, name is the parameter name, and num (if needed) is 2294 the item number (e.g. atom number). The rows are the data sets used in the 2295 sequential refinement.</p> 2186 2296 2187 2297 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 2198 2308 window but does display the data in the Plots Window. They are described below.</p> 2199 2309 2200 <h3> Powder Histograms - PWDR</h3>2310 <h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3> 2201 2311 2202 2312 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When 2203 2313 a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a 2204 2314 href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data 2205 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a 2206 variety of subcategories in the tree are shown. The items that are shown depend 2207 on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2208 2209 <h4><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4> 2210 2211 <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows whatever 2212 comment lines (preceded by “#”) found when the powder data file was 2213 read by GSAS-II. If you are lucky, there will be useful information here (e.g. 2214 sample name, date collected, wavelength used, etc.). If not, this window will 2215 be blank. The text is read-only in that anything you try to enter here is not 2216 saved.</span></p> 2315 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety 2316 of subcategories in the tree are shown. The items that are shown depend on the 2317 data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2318 2319 <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span 2320 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2321 2322 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span 2323 style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family: 2324 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2325 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2326 ‘<b style='mso-bidi-font-weight:normal'>Analysis</b>’ – <o:p></o:p></span></span></p> 2327 2328 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2329 text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span 2330 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2331 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2332 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span 2333 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'> 2334 – this produces a ‘normal probability’ plot for the 2335 refinement result as bounded by the limits. The slope and intercept of the curve 2336 in the central region (-1 < </span></span><span style='mso-bookmark:Comments'><span 2337 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span 2338 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span 2339 style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family: 2340 "Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span 2341 style='mso-fareast-font-family:"Times New Roman"'> < 1) are shown on the plot 2342 status line. The slope is the square root of GOF for the best fit set of data 2343 points (~68% of the data).<o:p></o:p></span></span></p> 2344 2345 <h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4> 2346 2347 <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows 2348 whatever comment lines (preceded by “#”) found when the powder data 2349 file was read by GSAS-II. If you are lucky, there will be useful information 2350 here (e.g. sample name, date collected, wavelength used, etc.). If not, this 2351 window will be blank. The text is read-only in that anything you try to enter 2352 here is not saved.</span></p> 2217 2353 2218 2354 <span style='mso-bookmark:Comments'></span> … … 2229 2365 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2230 2366 2231 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 16 level1 lfo4'><![if !supportLists]><span2367 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo24'><![if !supportLists]><span 2232 2368 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2233 2369 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2240 2376 new value.<o:p></o:p></span></p> 2241 2377 2242 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 16 level1 lfo4'><![if !supportLists]><span2378 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24'><![if !supportLists]><span 2243 2379 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2244 2380 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2250 2386 ‘changed’ row will be updated immediately.<o:p></o:p></span></p> 2251 2387 2252 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 16 level1 lfo4'><![if !supportLists]><span2388 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24'><![if !supportLists]><span 2253 2389 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2254 2390 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2257 2393 2258 2394 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2259 text-indent:-.25in;mso-list:l 14 level1 lfo5'><![if !supportLists]><span2395 text-indent:-.25in;mso-list:l4 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span 2260 2396 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2261 2397 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2265 2401 Parameters) will appear showing the list of available powder patterns, you can 2266 2402 copy the limits parameters to any or all of them; select ‘All’ to 2267 copy them to all patterns. Then select ‘OK’ to do the copy; 2268 ‘Cancel’to cancel the operation.<o:p></o:p></span></p>2403 copy them to all patterns. Then select ‘OK’ to do the copy; ‘Cancel’ 2404 to cancel the operation.<o:p></o:p></span></p> 2269 2405 2270 2406 <h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4> … … 2344 2480 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2345 2481 2346 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2482 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2347 2483 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2348 2484 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2351 2487 2352 2488 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2353 auto;text-indent:-.25in;mso-list:l 2level1 lfo7'><![if !supportLists]><span2489 auto;text-indent:-.25in;mso-list:l3 level1 lfo7'><![if !supportLists]><span 2354 2490 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2355 2491 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2362 2498 do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2363 2499 2364 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2500 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2365 2501 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2366 2502 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2368 2504 Background function from the pull down tab.<o:p></o:p></span></p> 2369 2505 2370 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2506 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2371 2507 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2372 2508 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2374 2510 refine the background coefficients.<o:p></o:p></span></p> 2375 2511 2376 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2512 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2377 2513 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2378 2514 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2380 2516 background coefficients to be used (1-36).<o:p></o:p></span></p> 2381 2517 2382 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2518 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2383 2519 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2384 2520 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2385 style='mso-fareast-font-family:"Times New Roman"'>You can change individual 2386 background coefficient values. Enter the value then press Enter or click the2387 mouseelsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>2388 2389 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2521 style='mso-fareast-font-family:"Times New Roman"'>You can change individual background 2522 coefficient values. Enter the value then press Enter or click the mouse 2523 elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> 2524 2525 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2390 2526 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2391 2527 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2392 2528 style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more 2393 Debye scattering terms into the background. For each one you should enter a 2394 sensiblevalue for ‘R’ – an expected <span class=SpellE>interatomic</span>2529 Debye scattering terms into the background. For each one you should enter a sensible 2530 value for ‘R’ – an expected <span class=SpellE>interatomic</span> 2395 2531 distance in an amorphous phase is appropriate. Select parameters to refine; 2396 2532 usually start with the ‘A’ coefficients.<o:p></o:p></span></p> 2397 2533 2398 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 5level1 lfo6'><![if !supportLists]><span2534 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo6'><![if !supportLists]><span 2399 2535 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span 2400 2536 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2413 2549 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2414 2550 2415 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 5level1 lfo8'><![if !supportLists]><span2551 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo8'><![if !supportLists]><span 2416 2552 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2417 2553 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2420 2556 2421 2557 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2422 auto;text-indent:-.25in;mso-list:l1 2level1 lfo9'><![if !supportLists]><span2558 auto;text-indent:-.25in;mso-list:l16 level1 lfo9'><![if !supportLists]><span 2423 2559 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2424 2560 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2429 2565 2430 2566 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2431 auto;text-indent:-.25in;mso-list:l1 2level1 lfo9'><![if !supportLists]><span2567 auto;text-indent:-.25in;mso-list:l16 level1 lfo9'><![if !supportLists]><span 2432 2568 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2433 2569 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2434 2570 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2435 2571 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2436 instrument parameters shown to other selected powder patterns. If used, a 2437 dialogbox (Copy Parameters) will appear showing the list of available powder2572 instrument parameters shown to other selected powder patterns. If used, a dialog 2573 box (Copy Parameters) will appear showing the list of available powder 2438 2574 patterns, you can copy the instrument parameters to any or all of them; select 2439 2575 ‘All’ to copy them to all patterns. Then select ‘OK’ to … … 2441 2577 2442 2578 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2443 auto;text-indent:-.25in;mso-list:l1 2level1 lfo9'><![if !supportLists]><span2579 auto;text-indent:-.25in;mso-list:l16 level1 lfo9'><![if !supportLists]><span 2444 2580 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2445 2581 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2456 2592 laboratory tube source).<o:p></o:p></span></p> 2457 2593 2458 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5level1 lfo8'><![if !supportLists]><span2594 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo8'><![if !supportLists]><span 2459 2595 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2460 2596 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2462 2598 profile coefficients<o:p></o:p></span></p> 2463 2599 2464 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 5level1 lfo8'><![if !supportLists]><span2600 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo8'><![if !supportLists]><span 2465 2601 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2466 2602 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2480 2616 window... <o:p></o:p></span></p> 2481 2617 2482 <h4><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 2483 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a><span 2618 <h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark: 2619 Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I 2620 do here?<o:p></o:p></span></span></a></h5> 2621 2622 <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span 2623 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 2484 2624 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 2485 2625 2486 2626 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2487 2627 window shows the list of peaks that will be used by the peak fitting 2488 refinement. It is filled by picking peaks in the powder pattern displayed in 2489 the GSASII Plots window as a sequence of ‘+’ marks. See </span><a 2490 href="#Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder 2491 Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'> 2492 below for details for what can be done on this plot.<o:p></o:p></span></p> 2493 2494 <h4><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span 2495 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Index 2496 Peak List</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 2628 refinement. It is filled by picking peaks in the powder pattern displayed in the 2629 GSASII Plots window as a sequence of ‘+’ marks. <o:p></o:p></span></p> 2630 2631 <h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span 2632 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What 2633 can I do here?<o:p></o:p></span></span></h5> 2634 2635 <h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: 2636 "Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family: 2637 "Times New Roman"'><o:p></o:p></span></h4> 2497 2638 2498 2639 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This … … 2509 2650 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2510 2651 2511 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 17level1 lfo10'><![if !supportLists]><span2652 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo10'><![if !supportLists]><span 2512 2653 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2513 2654 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2524 2665 table to the position shown here.<o:p></o:p></span></p> 2525 2666 2526 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 17level1 lfo10'><![if !supportLists]><span2667 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo10'><![if !supportLists]><span 2527 2668 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2528 2669 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2529 2670 style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual 2530 peaks from indexing by <span class=SpellE>unchecking</span> the corresponding ‘use’2531 box.<o:p></o:p></span></p>2671 peaks from indexing by <span class=SpellE>unchecking</span> the corresponding 2672 ‘use’ box.<o:p></o:p></span></p> 2532 2673 2533 2674 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span … … 2600 2741 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2601 2742 2602 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 0level1 lfo11'><![if !supportLists]><span2743 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo11'><![if !supportLists]><span 2603 2744 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2604 2745 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2608 2749 2609 2750 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2610 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2751 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2611 2752 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2612 2753 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2615 2756 compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p> 2616 2757 2617 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 0level1 lfo11'><![if !supportLists]><span2758 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo11'><![if !supportLists]><span 2618 2759 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2619 2760 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2623 2764 2624 2765 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2625 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2766 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2626 2767 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2627 2768 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2632 2773 2633 2774 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2634 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2775 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2635 2776 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2636 2777 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2641 2782 2642 2783 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2643 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2784 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2644 2785 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2645 2786 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2656 2797 2657 2798 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2658 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2799 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2659 2800 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2660 2801 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2761 2902 2762 2903 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2763 auto;text-indent:-.25in;mso-list:l 0level2 lfo11'><![if !supportLists]><span2904 auto;text-indent:-.25in;mso-list:l1 level2 lfo11'><![if !supportLists]><span 2764 2905 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2765 2906 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2771 2912 the values entered.<u><o:p></o:p></u></span></p> 2772 2913 2773 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 0level1 lfo11'><![if !supportLists]><span2914 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo11'><![if !supportLists]><span 2774 2915 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2775 2916 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2780 2921 fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> 2781 2922 2782 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 0level1 lfo11'><![if !supportLists]><span2923 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo11'><![if !supportLists]><span 2783 2924 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2784 2925 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2825 2966 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2826 2967 2827 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span2968 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2828 2969 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2829 2970 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2836 2977 deselect all atoms.</p> 2837 2978 2838 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span2979 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2839 2980 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2840 2981 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2849 2990 anytime during the selection process.</p> 2850 2991 2851 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span2992 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2852 2993 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2853 2994 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 2857 2998 those atoms to be selected.</p> 2858 2999 2859 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span3000 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2860 3001 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2861 3002 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 2869 3010 aren’t rendered and thus the plot will not show any atoms or bonds!</p> 2870 3011 2871 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span3012 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2872 3013 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2873 3014 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2877 3018 2878 3019 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2879 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3020 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2880 3021 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2881 3022 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2884 3025 2885 3026 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2886 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3027 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2887 3028 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2888 3029 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2892 3033 2893 3034 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2894 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3035 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2895 3036 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2896 3037 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2902 3043 2903 3044 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2904 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3045 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2905 3046 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2906 3047 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2909 3050 2910 3051 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2911 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3052 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2912 3053 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2913 3054 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2916 3057 2917 3058 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2918 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3059 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2919 3060 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2920 3061 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2926 3067 2927 3068 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2928 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3069 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2929 3070 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 2930 3071 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2935 3076 2936 3077 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2937 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3078 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2938 3079 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 2939 3080 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2944 3085 2945 3086 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2946 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3087 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2947 3088 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 2948 3089 style='font:7.0pt "Times New Roman"'> … … 2953 3094 2954 3095 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2955 auto;text-indent:-.25in;mso-list:l1 0level1 lfo13'><![if !supportLists]><span3096 auto;text-indent:-.25in;mso-list:l14 level1 lfo13'><![if !supportLists]><span 2956 3097 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 2957 3098 style='font:7.0pt "Times New Roman"'> … … 2961 3102 table, e.g. by a structure refinement.</p> 2962 3103 2963 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6level1 lfo12'><![if !supportLists]><span3104 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo12'><![if !supportLists]><span 2964 3105 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2965 3106 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2970 3111 2971 3112 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2972 auto;text-indent:-.25in;mso-list:l 9level1 lfo14'><![if !supportLists]><span3113 auto;text-indent:-.25in;mso-list:l13 level1 lfo14'><![if !supportLists]><span 2973 3114 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2974 3115 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2985 3126 2986 3127 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2987 text-indent:-.25in;mso-list:l 9level1 lfo14'><![if !supportLists]><span3128 text-indent:-.25in;mso-list:l13 level1 lfo14'><![if !supportLists]><span 2988 3129 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2989 3130 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3012 3153 <h5>What can I do here?</h5> 3013 3154 3014 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 3level1 lfo15'><![if !supportLists]><span3155 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo15'><![if !supportLists]><span 3015 3156 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3016 3157 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3018 3159 3019 3160 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3020 auto;text-indent:-.25in;mso-list:l 8level2 lfo16'><![if !supportLists]><span3161 auto;text-indent:-.25in;mso-list:l11 level2 lfo16'><![if !supportLists]><span 3021 3162 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3022 3163 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3024 3165 new set of Pawley reflections, over writing any preexisting Pawley set. They 3025 3166 are generated with d-<span class=SpellE>spacings</span> larger than the limit 3026 set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab for3027 this phase. By default the refine flags are not set and the <span class=SpellE><span3028 class= GramE>Fsq</span></span><span class=GramE>(</span><span class=SpellE>hkl</span>)3029 = 100.0.</p>3030 3031 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3032 auto;text-indent:-.25in;mso-list:l 8level2 lfo16'><![if !supportLists]><span3167 set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab 3168 for this phase. By default the refine flags are not set and the <span 3169 class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span 3170 class=SpellE>hkl</span>) = 100.0.</p> 3171 3172 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3173 auto;text-indent:-.25in;mso-list:l11 level2 lfo16'><![if !supportLists]><span 3033 3174 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3034 3175 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3040 3181 3041 3182 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3042 auto;text-indent:-.25in;mso-list:l 8level2 lfo16'><![if !supportLists]><span3183 auto;text-indent:-.25in;mso-list:l11 level2 lfo16'><![if !supportLists]><span 3043 3184 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3044 3185 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3046 3187 set of Pawley reflections.</p> 3047 3188 3048 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 3level1 lfo15'><![if !supportLists]><span3189 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo15'><![if !supportLists]><span 3049 3190 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3050 3191 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 3056 3197 error in your Pawley refinement.</p> 3057 3198 3058 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 3level1 lfo15'><![if !supportLists]><span3199 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo15'><![if !supportLists]><span 3059 3200 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3060 3201 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 3097 3238 <ul type=disc> 3098 3239 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3099 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3240 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3100 3241 "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> 3101 3242 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3102 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3243 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3103 3244 "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> 3104 3245 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3105 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3246 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3106 3247 "Times New Roman"'>Forward: reverses the action in the previous press(es) 3107 3248 of the Back button <o:p></o:p></span></li> 3108 3249 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3109 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3250 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3110 3251 "Times New Roman"'>Pan: allows you to control panning across the plot 3111 3252 (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> 3112 3253 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3113 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3254 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3114 3255 "Times New Roman"'>Zoom: allows you to select a portion of the plot (press 3115 3256 right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> 3116 3257 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3117 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3258 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3118 3259 "Times New Roman"'>Save: allows you to save the currently displayed plot 3119 3260 in one of several graphical formats suitable for printing or insertion in 3120 3261 a document.<o:p></o:p></span></li> 3121 3262 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3122 mso-list:l 1level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3263 mso-list:l2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3123 3264 "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> 3124 3265 </ul> … … 3129 3270 the toolbar may be a status bar that on the left may show either an instruction 3130 3271 for a keyed input or a pull down selection of keyed input; on the right may be 3131 displayed position dependent information that is updated as the mouse is moved 3132 overthe plot region.<o:p></o:p></span></p>3272 displayed position dependent information that is updated as the mouse is moved over 3273 the plot region.<o:p></o:p></span></p> 3133 3274 3134 3275 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> … … 3149 3290 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3150 3291 3151 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l18 level1 lfo18'><![if !supportLists]><span3292 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo23'><![if !supportLists]><span 3152 3293 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3153 3294 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3154 3295 style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across 3155 the plot. <o:p></o:p></span></p> 3296 the plot, the plot status line will show the cursor position in 2</span><span 3297 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span 3298 style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the 3299 intensity. For a q-plot, q is shown instead of 2</span><span style='font-family: 3300 Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span 3301 style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> 3302 3303 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo23'><![if !supportLists]><span 3304 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3305 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On 3306 the plot status line<b style='mso-bidi-font-weight:normal'> ‘key press’ 3307 </b>– you can either press the key on the key board or select from the pull 3308 down menu. For line plots:</p> 3309 3310 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3311 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3312 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3313 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3314 class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b 3315 style='mso-bidi-font-weight:normal'>: offset left</b> – for a waterfall 3316 plot of multiple powder profiles, increase the offset to the left. Does not 3317 apply if only one pattern.</p> 3318 3319 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3320 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3321 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3322 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3323 class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b 3324 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of 3325 multiple powder profiles, increase the offset to the left. Does not apply if 3326 only one pattern.</p> 3327 3328 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3329 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3330 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3331 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3332 class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b 3333 style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of 3334 multiple powder profiles, increase the offset down. Does not apply if only one 3335 pattern.</p> 3336 3337 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3338 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3339 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3340 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3341 class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b 3342 style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of multiple 3343 powder profiles, increase the offset up. Does not apply if only one pattern.</p> 3344 3345 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3346 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3347 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3348 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3349 class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b 3350 style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot of 3351 multiple powder profiles, reset to no offset. Does not apply if only one 3352 pattern.</p> 3353 3354 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3355 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3356 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3357 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3358 class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b 3359 style='mso-bidi-font-weight:normal'>: log(I) on/off</b> – changes the 3360 y-axis to be the log10 of the intensity; difference curve is not shown for 3361 log(I) on.</p> 3362 3363 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3364 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3365 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3366 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3367 class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b 3368 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple 3369 powder profiles, then a contour plot is shown of the observed intensities. All data 3370 sets must be the same length as the first one to be included in the contour 3371 plot.</p> 3372 3373 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3374 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3375 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3376 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3377 style='mso-bidi-font-weight:normal'>q: toggle q plot</b> – changes the 3378 x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span 3379 style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns 3380 taken at different energies on the same x-axis scale.</p> 3381 3382 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3383 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3384 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3385 style='font:7.0pt "Times New Roman"'> 3386 </span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight: 3387 normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b> 3388 – for multiple powder profiles, this will show only the one selected from 3389 the data tree. The offset options are not active.</p> 3390 3391 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3392 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3393 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3394 style='font:7.0pt "Times New Roman"'> 3395 </span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight: 3396 normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by 3397 sig</b> – for the pattern selected from the data tree, this will divide 3398 the observed, calculated and difference curves by the <span class=SpellE>esd</span> 3399 for the data points. Other data sets are not shown.</p> 3400 3401 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3402 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3403 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span 3404 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3405 style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder 3406 profiles, only the observed curve is shown.</p> 3407 3408 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo23'><![if !supportLists]><span 3409 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3410 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3411 style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status 3412 line ‘key press’ options are different:<o:p></o:p></span></p> 3413 3414 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3415 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3416 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3417 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3418 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: 3419 "Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span 3420 style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span 3421 style='mso-fareast-font-family:"Times New Roman"'> – this lowers the 3422 level chosen for the highest contour color.<o:p></o:p></span></p> 3423 3424 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3425 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3426 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3427 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3428 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u: 3429 raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3430 – this raises the level chosen for the highest contour color<o:p></o:p></span></p> 3431 3432 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3433 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3434 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3435 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3436 class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span 3437 style='mso-fareast-font-family:"Times New Roman"'>i</span></b></span></span><b 3438 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>: 3439 interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3440 – this changes the method used to represent the contours. If selected a 3441 dialog box appears with all the possible choices. Default is ‘nearest’; 3442 the other useful choice is ‘bilinear’, this will smooth out the 3443 contours. <o:p></o:p></span></p> 3444 3445 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3446 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3447 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3448 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3449 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: 3450 "Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span 3451 style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span 3452 style='mso-fareast-font-family:"Times New Roman"'> – this changes the 3453 color scheme for the contouring. Default is <span class=GramE>‘Paired’,</span> 3454 black/ white options are ‘<span class=SpellE>Greys’</span> and ‘binary’ 3455 (for black on white) or ‘gray’ (for white on black). Others can be 3456 very colorful (but not useful)!<o:p></o:p></span></p> 3457 3458 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3459 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3460 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3461 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3462 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: 3463 "Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span 3464 style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span 3465 style='mso-fareast-font-family:"Times New Roman"'> – this turns off 3466 contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p> 3467 3468 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo23'><![if !supportLists]><span 3469 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3470 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3471 style='mso-fareast-font-family:"Times New Roman"'>Depending on the item chosen 3472 for the selected powder pattern in the data tree, the mouse buttons have 3473 different actions:<o:p></o:p></span></p> 3474 3475 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3476 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3477 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3478 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3479 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b><span 3480 style='mso-fareast-font-family:"Times New Roman"'> - Modify the values of 3481 ‘changed’; this can be done on the plot by dragging the limit bars 3482 (left – vertical green dashed line, right – vertical red dashed 3483 line) into position. A left or right mouse click on a data point on the plot 3484 will set the associated limit. In either case the appropriate value on the 3485 ‘changed’ row will be updated immediately.<o:p></o:p></span></p> 3486 3487 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3488 text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3489 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3490 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3491 style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 3492 3493 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family: 3494 "Times New Roman"'><o:p> </o:p></span></p> 3156 3495 3157 3496 <h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span … … 3166 3505 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3167 3506 3168 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 4level1 lfo19'><![if !supportLists]><span3507 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo19'><![if !supportLists]><span 3169 3508 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3170 3509 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move … … 3175 3514 status bar.</p> 3176 3515 3177 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 4level1 lfo19'><![if !supportLists]><span3516 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo19'><![if !supportLists]><span 3178 3517 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3179 3518 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
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