Changeset 988 for trunk/help/gsasII.html


Ignore:
Timestamp:
Jul 12, 2013 5:21:55 AM (9 years ago)
Author:
vondreele
Message:

remove stray hyperlinks from gsasII.html
rework phase window resizing

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/gsasII.html

    r897 r988  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>114</o:Revision>
    28   <o:TotalTime>3902</o:TotalTime>
     27  <o:Revision>133</o:Revision>
     28  <o:TotalTime>3974</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2013-05-01T17:14:00Z</o:LastSaved>
    31   <o:Pages>2</o:Pages>
    32   <o:Words>12902</o:Words>
    33   <o:Characters>73548</o:Characters>
     30  <o:LastSaved>2013-07-12T10:17:00Z</o:LastSaved>
     31  <o:Pages>27</o:Pages>
     32  <o:Words>10727</o:Words>
     33  <o:Characters>61145</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>612</o:Lines>
    36   <o:Paragraphs>172</o:Paragraphs>
    37   <o:CharactersWithSpaces>86278</o:CharactersWithSpaces>
     35  <o:Lines>509</o:Lines>
     36  <o:Paragraphs>143</o:Paragraphs>
     37  <o:CharactersWithSpaces>71729</o:CharactersWithSpaces>
    3838  <o:Version>14.00</o:Version>
    3939 </o:DocumentProperties>
     
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     1758        {mso-level-tab-stop:2.0in;
     1759        mso-level-number-position:left;
     1760        text-indent:-.25in;}
     1761@list l18:level5
     1762        {mso-level-tab-stop:2.5in;
     1763        mso-level-number-position:left;
     1764        text-indent:-.25in;}
     1765@list l18:level6
     1766        {mso-level-tab-stop:3.0in;
     1767        mso-level-number-position:left;
     1768        text-indent:-.25in;}
     1769@list l18:level7
     1770        {mso-level-tab-stop:3.5in;
     1771        mso-level-number-position:left;
     1772        text-indent:-.25in;}
     1773@list l18:level8
     1774        {mso-level-tab-stop:4.0in;
     1775        mso-level-number-position:left;
     1776        text-indent:-.25in;}
     1777@list l18:level9
     1778        {mso-level-tab-stop:4.5in;
     1779        mso-level-number-position:left;
     1780        text-indent:-.25in;}
     1781@list l19
     1782        {mso-list-id:1394309879;
     1783        mso-list-template-ids:326264828;}
    17881784@list l19:level1
    17891785        {mso-level-tab-stop:none;
     
    17911787        text-indent:-.25in;}
    17921788@list l19:level2
    1793         {mso-level-tab-stop:1.0in;
    1794         mso-level-number-position:left;
    1795         text-indent:-.25in;}
    1796 @list l19:level3
    1797         {mso-level-tab-stop:1.5in;
    1798         mso-level-number-position:left;
    1799         text-indent:-.25in;}
    1800 @list l19:level4
    1801         {mso-level-tab-stop:2.0in;
    1802         mso-level-number-position:left;
    1803         text-indent:-.25in;}
    1804 @list l19:level5
    1805         {mso-level-tab-stop:2.5in;
    1806         mso-level-number-position:left;
    1807         text-indent:-.25in;}
    1808 @list l19:level6
    1809         {mso-level-tab-stop:3.0in;
    1810         mso-level-number-position:left;
    1811         text-indent:-.25in;}
    1812 @list l19:level7
    1813         {mso-level-tab-stop:3.5in;
    1814         mso-level-number-position:left;
    1815         text-indent:-.25in;}
    1816 @list l19:level8
    1817         {mso-level-tab-stop:4.0in;
    1818         mso-level-number-position:left;
    1819         text-indent:-.25in;}
    1820 @list l19:level9
    1821         {mso-level-tab-stop:4.5in;
    1822         mso-level-number-position:left;
    1823         text-indent:-.25in;}
    1824 @list l20
    1825         {mso-list-id:1394309879;
    1826         mso-list-template-ids:326264828;}
    1827 @list l20:level1
    1828         {mso-level-tab-stop:none;
    1829         mso-level-number-position:left;
    1830         text-indent:-.25in;}
    1831 @list l20:level2
    18321789        {mso-level-number-format:alpha-lower;
    18331790        mso-level-tab-stop:1.0in;
     
    18381795        mso-ansi-font-weight:normal;
    18391796        mso-ansi-font-style:normal;}
    1840 @list l20:level3
     1797@list l19:level3
    18411798        {mso-level-tab-stop:1.5in;
    18421799        mso-level-number-position:left;
    18431800        text-indent:-.25in;}
    1844 @list l20:level4
     1801@list l19:level4
    18451802        {mso-level-number-format:alpha-lower;
    18461803        mso-level-tab-stop:2.0in;
    18471804        mso-level-number-position:left;
    18481805        text-indent:-.25in;}
    1849 @list l20:level5
     1806@list l19:level5
    18501807        {mso-level-tab-stop:2.5in;
    18511808        mso-level-number-position:left;
    18521809        text-indent:-.25in;}
    1853 @list l20:level6
     1810@list l19:level6
    18541811        {mso-level-tab-stop:3.0in;
    18551812        mso-level-number-position:left;
    18561813        text-indent:-.25in;}
    1857 @list l20:level7
     1814@list l19:level7
    18581815        {mso-level-tab-stop:3.5in;
    18591816        mso-level-number-position:left;
    18601817        text-indent:-.25in;}
    1861 @list l20:level8
     1818@list l19:level8
    18621819        {mso-level-tab-stop:4.0in;
    18631820        mso-level-number-position:left;
    18641821        text-indent:-.25in;}
    1865 @list l20:level9
     1822@list l19:level9
    18661823        {mso-level-tab-stop:4.5in;
    18671824        mso-level-number-position:left;
    18681825        text-indent:-.25in;}
    1869 @list l21
     1826@list l20
    18701827        {mso-list-id:1413820461;
    18711828        mso-list-type:hybrid;
    18721829        mso-list-template-ids:2031237610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1873 @list l21:level1
     1830@list l20:level1
    18741831        {mso-level-tab-stop:none;
    18751832        mso-level-number-position:left;
    18761833        margin-left:.25in;
    18771834        text-indent:-.25in;}
    1878 @list l21:level2
     1835@list l20:level2
    18791836        {mso-level-number-format:alpha-lower;
    18801837        mso-level-tab-stop:none;
     
    18821839        margin-left:.75in;
    18831840        text-indent:-.25in;}
    1884 @list l21:level3
     1841@list l20:level3
    18851842        {mso-level-number-format:roman-lower;
    18861843        mso-level-tab-stop:none;
     
    18881845        margin-left:1.25in;
    18891846        text-indent:-9.0pt;}
    1890 @list l21:level4
     1847@list l20:level4
    18911848        {mso-level-tab-stop:none;
    18921849        mso-level-number-position:left;
    18931850        margin-left:1.75in;
    18941851        text-indent:-.25in;}
    1895 @list l21:level5
     1852@list l20:level5
    18961853        {mso-level-number-format:alpha-lower;
    18971854        mso-level-tab-stop:none;
     
    18991856        margin-left:2.25in;
    19001857        text-indent:-.25in;}
    1901 @list l21:level6
     1858@list l20:level6
    19021859        {mso-level-number-format:roman-lower;
    19031860        mso-level-tab-stop:none;
     
    19051862        margin-left:2.75in;
    19061863        text-indent:-9.0pt;}
    1907 @list l21:level7
     1864@list l20:level7
    19081865        {mso-level-tab-stop:none;
    19091866        mso-level-number-position:left;
    19101867        margin-left:3.25in;
    19111868        text-indent:-.25in;}
    1912 @list l21:level8
     1869@list l20:level8
    19131870        {mso-level-number-format:alpha-lower;
    19141871        mso-level-tab-stop:none;
     
    19161873        margin-left:3.75in;
    19171874        text-indent:-.25in;}
    1918 @list l21:level9
     1875@list l20:level9
    19191876        {mso-level-number-format:roman-lower;
    19201877        mso-level-tab-stop:none;
     
    19221879        margin-left:4.25in;
    19231880        text-indent:-9.0pt;}
    1924 @list l22
     1881@list l21
    19251882        {mso-list-id:1602683002;
    19261883        mso-list-type:hybrid;
    19271884        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1928 @list l22:level1
     1885@list l21:level1
    19291886        {mso-level-tab-stop:none;
    19301887        mso-level-number-position:left;
    19311888        text-indent:-.25in;}
    1932 @list l22:level2
     1889@list l21:level2
    19331890        {mso-level-number-format:alpha-lower;
    19341891        mso-level-tab-stop:none;
    19351892        mso-level-number-position:left;
    19361893        text-indent:-.25in;}
    1937 @list l22:level3
     1894@list l21:level3
    19381895        {mso-level-tab-stop:1.5in;
    19391896        mso-level-number-position:left;
    19401897        text-indent:-.25in;}
    1941 @list l22:level4
     1898@list l21:level4
    19421899        {mso-level-tab-stop:2.0in;
    19431900        mso-level-number-position:left;
    19441901        text-indent:-.25in;}
    1945 @list l22:level5
     1902@list l21:level5
    19461903        {mso-level-tab-stop:2.5in;
    19471904        mso-level-number-position:left;
    19481905        text-indent:-.25in;}
    1949 @list l22:level6
     1906@list l21:level6
    19501907        {mso-level-tab-stop:3.0in;
    19511908        mso-level-number-position:left;
    19521909        text-indent:-.25in;}
    1953 @list l22:level7
     1910@list l21:level7
    19541911        {mso-level-tab-stop:3.5in;
    19551912        mso-level-number-position:left;
    19561913        text-indent:-.25in;}
    1957 @list l22:level8
     1914@list l21:level8
    19581915        {mso-level-tab-stop:4.0in;
    19591916        mso-level-number-position:left;
    19601917        text-indent:-.25in;}
    1961 @list l22:level9
     1918@list l21:level9
    19621919        {mso-level-tab-stop:4.5in;
    19631920        mso-level-number-position:left;
    19641921        text-indent:-.25in;}
    1965 @list l23
     1922@list l22
    19661923        {mso-list-id:1669404025;
    19671924        mso-list-type:hybrid;
    19681925        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1969 @list l23:level1
     1926@list l22:level1
    19701927        {mso-level-number-format:alpha-lower;
    19711928        mso-level-tab-stop:none;
     
    19741931        text-indent:-.25in;
    19751932        mso-ansi-font-weight:normal;}
     1933@list l22:level2
     1934        {mso-level-tab-stop:1.0in;
     1935        mso-level-number-position:left;
     1936        text-indent:-.25in;}
     1937@list l22:level3
     1938        {mso-level-tab-stop:112.5pt;
     1939        mso-level-number-position:left;
     1940        margin-left:112.5pt;
     1941        text-indent:-.25in;}
     1942@list l22:level4
     1943        {mso-level-tab-stop:2.0in;
     1944        mso-level-number-position:left;
     1945        text-indent:-.25in;}
     1946@list l22:level5
     1947        {mso-level-tab-stop:2.5in;
     1948        mso-level-number-position:left;
     1949        text-indent:-.25in;}
     1950@list l22:level6
     1951        {mso-level-tab-stop:3.0in;
     1952        mso-level-number-position:left;
     1953        text-indent:-.25in;}
     1954@list l22:level7
     1955        {mso-level-tab-stop:3.5in;
     1956        mso-level-number-position:left;
     1957        text-indent:-.25in;}
     1958@list l22:level8
     1959        {mso-level-tab-stop:4.0in;
     1960        mso-level-number-position:left;
     1961        text-indent:-.25in;}
     1962@list l22:level9
     1963        {mso-level-tab-stop:4.5in;
     1964        mso-level-number-position:left;
     1965        text-indent:-.25in;}
     1966@list l23
     1967        {mso-list-id:1753089587;
     1968        mso-list-template-ids:1555050902;}
     1969@list l23:level1
     1970        {mso-level-tab-stop:none;
     1971        mso-level-number-position:left;
     1972        text-indent:-.25in;}
    19761973@list l23:level2
    19771974        {mso-level-tab-stop:1.0in;
     
    19791976        text-indent:-.25in;}
    19801977@list l23:level3
    1981         {mso-level-tab-stop:112.5pt;
    1982         mso-level-number-position:left;
    1983         margin-left:112.5pt;
     1978        {mso-level-tab-stop:1.5in;
     1979        mso-level-number-position:left;
    19841980        text-indent:-.25in;}
    19851981@list l23:level4
     
    20082004        text-indent:-.25in;}
    20092005@list l24
    2010         {mso-list-id:1753089587;
    2011         mso-list-template-ids:1555050902;}
    2012 @list l24:level1
    2013         {mso-level-tab-stop:none;
    2014         mso-level-number-position:left;
    2015         text-indent:-.25in;}
    2016 @list l24:level2
    2017         {mso-level-tab-stop:1.0in;
    2018         mso-level-number-position:left;
    2019         text-indent:-.25in;}
    2020 @list l24:level3
    2021         {mso-level-tab-stop:1.5in;
    2022         mso-level-number-position:left;
    2023         text-indent:-.25in;}
    2024 @list l24:level4
    2025         {mso-level-tab-stop:2.0in;
    2026         mso-level-number-position:left;
    2027         text-indent:-.25in;}
    2028 @list l24:level5
    2029         {mso-level-tab-stop:2.5in;
    2030         mso-level-number-position:left;
    2031         text-indent:-.25in;}
    2032 @list l24:level6
    2033         {mso-level-tab-stop:3.0in;
    2034         mso-level-number-position:left;
    2035         text-indent:-.25in;}
    2036 @list l24:level7
    2037         {mso-level-tab-stop:3.5in;
    2038         mso-level-number-position:left;
    2039         text-indent:-.25in;}
    2040 @list l24:level8
    2041         {mso-level-tab-stop:4.0in;
    2042         mso-level-number-position:left;
    2043         text-indent:-.25in;}
    2044 @list l24:level9
    2045         {mso-level-tab-stop:4.5in;
    2046         mso-level-number-position:left;
    2047         text-indent:-.25in;}
    2048 @list l25
    20492006        {mso-list-id:1773695911;
    20502007        mso-list-type:hybrid;
    20512008        mso-list-template-ids:-1704541642 595615172 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    2052 @list l25:level1
     2009@list l24:level1
    20532010        {mso-level-tab-stop:none;
    20542011        mso-level-number-position:left;
    20552012        margin-left:.75in;
    20562013        text-indent:-.25in;}
    2057 @list l25:level2
     2014@list l24:level2
    20582015        {mso-level-number-format:alpha-lower;
    20592016        mso-level-tab-stop:none;
     
    20612018        margin-left:1.25in;
    20622019        text-indent:-.25in;}
    2063 @list l25:level3
     2020@list l24:level3
    20642021        {mso-level-number-format:roman-lower;
    20652022        mso-level-tab-stop:none;
     
    20672024        margin-left:1.75in;
    20682025        text-indent:-9.0pt;}
    2069 @list l25:level4
     2026@list l24:level4
    20702027        {mso-level-tab-stop:none;
    20712028        mso-level-number-position:left;
    20722029        margin-left:2.25in;
    20732030        text-indent:-.25in;}
    2074 @list l25:level5
     2031@list l24:level5
    20752032        {mso-level-number-format:alpha-lower;
    20762033        mso-level-tab-stop:none;
     
    20782035        margin-left:2.75in;
    20792036        text-indent:-.25in;}
    2080 @list l25:level6
     2037@list l24:level6
    20812038        {mso-level-number-format:roman-lower;
    20822039        mso-level-tab-stop:none;
     
    20842041        margin-left:3.25in;
    20852042        text-indent:-9.0pt;}
    2086 @list l25:level7
     2043@list l24:level7
    20872044        {mso-level-tab-stop:none;
    20882045        mso-level-number-position:left;
    20892046        margin-left:3.75in;
    20902047        text-indent:-.25in;}
    2091 @list l25:level8
     2048@list l24:level8
    20922049        {mso-level-number-format:alpha-lower;
    20932050        mso-level-tab-stop:none;
     
    20952052        margin-left:4.25in;
    20962053        text-indent:-.25in;}
    2097 @list l25:level9
     2054@list l24:level9
    20982055        {mso-level-number-format:roman-lower;
    20992056        mso-level-tab-stop:none;
     
    21012058        margin-left:4.75in;
    21022059        text-indent:-9.0pt;}
    2103 @list l26
     2060@list l25
    21042061        {mso-list-id:1840269000;
    21052062        mso-list-type:hybrid;
    21062063        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     2064@list l25:level1
     2065        {mso-level-tab-stop:none;
     2066        mso-level-number-position:left;
     2067        text-indent:-.25in;}
     2068@list l25:level2
     2069        {mso-level-number-format:alpha-lower;
     2070        mso-level-tab-stop:none;
     2071        mso-level-number-position:left;
     2072        text-indent:-.25in;}
     2073@list l25:level3
     2074        {mso-level-tab-stop:1.5in;
     2075        mso-level-number-position:left;
     2076        text-indent:-.25in;}
     2077@list l25:level4
     2078        {mso-level-tab-stop:2.0in;
     2079        mso-level-number-position:left;
     2080        text-indent:-.25in;}
     2081@list l25:level5
     2082        {mso-level-tab-stop:2.5in;
     2083        mso-level-number-position:left;
     2084        text-indent:-.25in;}
     2085@list l25:level6
     2086        {mso-level-tab-stop:3.0in;
     2087        mso-level-number-position:left;
     2088        text-indent:-.25in;}
     2089@list l25:level7
     2090        {mso-level-tab-stop:3.5in;
     2091        mso-level-number-position:left;
     2092        text-indent:-.25in;}
     2093@list l25:level8
     2094        {mso-level-tab-stop:4.0in;
     2095        mso-level-number-position:left;
     2096        text-indent:-.25in;}
     2097@list l25:level9
     2098        {mso-level-tab-stop:4.5in;
     2099        mso-level-number-position:left;
     2100        text-indent:-.25in;}
     2101@list l26
     2102        {mso-list-id:2029942403;
     2103        mso-list-template-ids:1555050902;}
    21072104@list l26:level1
    21082105        {mso-level-tab-stop:none;
     
    21102107        text-indent:-.25in;}
    21112108@list l26:level2
    2112         {mso-level-number-format:alpha-lower;
    2113         mso-level-tab-stop:none;
     2109        {mso-level-tab-stop:1.0in;
    21142110        mso-level-number-position:left;
    21152111        text-indent:-.25in;}
     
    21432139        text-indent:-.25in;}
    21442140@list l27
    2145         {mso-list-id:2029942403;
    2146         mso-list-template-ids:1555050902;}
    2147 @list l27:level1
    2148         {mso-level-tab-stop:none;
    2149         mso-level-number-position:left;
    2150         text-indent:-.25in;}
    2151 @list l27:level2
    2152         {mso-level-tab-stop:1.0in;
    2153         mso-level-number-position:left;
    2154         text-indent:-.25in;}
    2155 @list l27:level3
    2156         {mso-level-tab-stop:1.5in;
    2157         mso-level-number-position:left;
    2158         text-indent:-.25in;}
    2159 @list l27:level4
    2160         {mso-level-tab-stop:2.0in;
    2161         mso-level-number-position:left;
    2162         text-indent:-.25in;}
    2163 @list l27:level5
    2164         {mso-level-tab-stop:2.5in;
    2165         mso-level-number-position:left;
    2166         text-indent:-.25in;}
    2167 @list l27:level6
    2168         {mso-level-tab-stop:3.0in;
    2169         mso-level-number-position:left;
    2170         text-indent:-.25in;}
    2171 @list l27:level7
    2172         {mso-level-tab-stop:3.5in;
    2173         mso-level-number-position:left;
    2174         text-indent:-.25in;}
    2175 @list l27:level8
    2176         {mso-level-tab-stop:4.0in;
    2177         mso-level-number-position:left;
    2178         text-indent:-.25in;}
    2179 @list l27:level9
    2180         {mso-level-tab-stop:4.5in;
    2181         mso-level-number-position:left;
    2182         text-indent:-.25in;}
    2183 @list l28
    21842141        {mso-list-id:2095858496;
    21852142        mso-list-type:hybrid;
    21862143        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     2144@list l27:level1
     2145        {mso-level-tab-stop:none;
     2146        mso-level-number-position:left;
     2147        text-indent:-.25in;}
     2148@list l27:level2
     2149        {mso-level-tab-stop:1.0in;
     2150        mso-level-number-position:left;
     2151        text-indent:-.25in;}
     2152@list l27:level3
     2153        {mso-level-tab-stop:1.5in;
     2154        mso-level-number-position:left;
     2155        text-indent:-.25in;}
     2156@list l27:level4
     2157        {mso-level-tab-stop:2.0in;
     2158        mso-level-number-position:left;
     2159        text-indent:-.25in;}
     2160@list l27:level5
     2161        {mso-level-tab-stop:2.5in;
     2162        mso-level-number-position:left;
     2163        text-indent:-.25in;}
     2164@list l27:level6
     2165        {mso-level-tab-stop:3.0in;
     2166        mso-level-number-position:left;
     2167        text-indent:-.25in;}
     2168@list l27:level7
     2169        {mso-level-tab-stop:3.5in;
     2170        mso-level-number-position:left;
     2171        text-indent:-.25in;}
     2172@list l27:level8
     2173        {mso-level-tab-stop:4.0in;
     2174        mso-level-number-position:left;
     2175        text-indent:-.25in;}
     2176@list l27:level9
     2177        {mso-level-tab-stop:4.5in;
     2178        mso-level-number-position:left;
     2179        text-indent:-.25in;}
     2180@list l28
     2181        {mso-list-id:2114591880;
     2182        mso-list-template-ids:-445226636;}
    21872183@list l28:level1
    21882184        {mso-level-tab-stop:none;
     
    21902186        text-indent:-.25in;}
    21912187@list l28:level2
    2192         {mso-level-tab-stop:1.0in;
     2188        {mso-level-number-format:alpha-lower;
     2189        mso-level-tab-stop:1.0in;
    21932190        mso-level-number-position:left;
    21942191        text-indent:-.25in;}
     
    21982195        text-indent:-.25in;}
    21992196@list l28:level4
    2200         {mso-level-tab-stop:2.0in;
     2197        {mso-level-number-format:alpha-lower;
     2198        mso-level-tab-stop:2.0in;
    22012199        mso-level-number-position:left;
    22022200        text-indent:-.25in;}
     
    22182216        text-indent:-.25in;}
    22192217@list l28:level9
    2220         {mso-level-tab-stop:4.5in;
    2221         mso-level-number-position:left;
    2222         text-indent:-.25in;}
    2223 @list l29
    2224         {mso-list-id:2114591880;
    2225         mso-list-template-ids:-445226636;}
    2226 @list l29:level1
    2227         {mso-level-tab-stop:none;
    2228         mso-level-number-position:left;
    2229         text-indent:-.25in;}
    2230 @list l29:level2
    2231         {mso-level-number-format:alpha-lower;
    2232         mso-level-tab-stop:1.0in;
    2233         mso-level-number-position:left;
    2234         text-indent:-.25in;}
    2235 @list l29:level3
    2236         {mso-level-tab-stop:1.5in;
    2237         mso-level-number-position:left;
    2238         text-indent:-.25in;}
    2239 @list l29:level4
    2240         {mso-level-number-format:alpha-lower;
    2241         mso-level-tab-stop:2.0in;
    2242         mso-level-number-position:left;
    2243         text-indent:-.25in;}
    2244 @list l29:level5
    2245         {mso-level-tab-stop:2.5in;
    2246         mso-level-number-position:left;
    2247         text-indent:-.25in;}
    2248 @list l29:level6
    2249         {mso-level-tab-stop:3.0in;
    2250         mso-level-number-position:left;
    2251         text-indent:-.25in;}
    2252 @list l29:level7
    2253         {mso-level-tab-stop:3.5in;
    2254         mso-level-number-position:left;
    2255         text-indent:-.25in;}
    2256 @list l29:level8
    2257         {mso-level-tab-stop:4.0in;
    2258         mso-level-number-position:left;
    2259         text-indent:-.25in;}
    2260 @list l29:level9
    22612218        {mso-level-tab-stop:4.5in;
    22622219        mso-level-number-position:left;
     
    24182375as outlined below: <o:p></o:p></span></p>
    24192376
    2420 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo1'><![if !supportLists]><span
     2377<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
    24212378style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    24222379style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    24242381
    24252382<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2426 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2383auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24272384style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    24282385style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24332390class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
    24342391of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
    2435 to e.g. name.gpx to overwrite the current version. Otherwise you will get backups
    2436 of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
    2437 
    2438 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2439 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2392to e.g. name.gpx to overwrite the current version. Otherwise you will get
     2393backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
     2394
     2395<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     2396auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24402397style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    24412398style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24482405
    24492406<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2450 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2407auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24512408style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    24522409style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24582415
    24592416<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2460 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2417auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24612418style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    24622419style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24672424
    24682425<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2469 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2426auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24702427style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    24712428style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24762433option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
    24772434
    2478 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo1'><![if !supportLists]><b
     2435<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><b
    24792436style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    24802437style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    24832440
    24842441<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2485 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2442auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24862443style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    24872444style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24962453
    24972454<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2498 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2455auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    24992456style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    25002457style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25052462
    25062463<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2507 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2464auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25082465style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    25092466style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25152472
    25162473<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2517 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2474auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25182475style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    25192476style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25252482
    25262483<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2527 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2484auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25282485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    25292486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25382495
    25392496<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2540 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2497auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25412498style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    25422499style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25462503
    25472504<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2548 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2505auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25492506style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    25502507style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25542511
    25552512<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2556 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2513auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25572514style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    25582515style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25602517item from the data tree. A dialog box with a list of choices is presented.</p>
    25612518
    2562 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo1'><![if !supportLists]><span
     2519<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
    25632520style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    25642521style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    25662523
    25672524<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2568 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2525auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25692526style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    25702527style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25762533
    25772534<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2578 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2535auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25792536style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    25802537style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25962553
    25972554<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2598 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2555auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    25992556style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    26002557style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    26052562
    26062563<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2607 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2564auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    26082565style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    26092566style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    26122569normal'><a href="#Controls">Controls</a></b> data tree item.</p>
    26132570
    2614 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo1'><![if !supportLists]><span
     2571<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
    26152572style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    26162573style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    26212578
    26222579<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2623 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2580auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    26242581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    26252582style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    26272584
    26282585<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2629 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2586auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    26302587style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    26312588style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26412598
    26422599<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2643 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2600auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    26442601style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    26452602style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26552612
    26562613<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2657 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2614auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    26582615style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    26592616style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26702627
    26712628<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2672 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2629auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    26732630style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    26742631style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26852642
    26862643<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2687 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2644auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    26882645style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    26892646style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26932650
    26942651<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2695 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><b
     2652auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
    26962653style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    26972654style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27022659
    27032660<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2704 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2661auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27052662style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27062663style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27162673
    27172674<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2718 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2675auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27192676style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27202677style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27292686
    27302687<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2731 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2688auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27322689style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27332690style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27422699
    27432700<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2744 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2701auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27452702style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27462703style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27552712
    27562713<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2757 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2714auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    27582715style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    27592716style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    27642721
    27652722<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2766 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><b
     2723auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
    27672724style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27682725style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27732730
    27742731<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2775 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2732auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27762733style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27772734style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27852742
    27862743<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2787 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2744auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    27882745style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    27892746style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    27972754
    27982755<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2799 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2756auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    28002757style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    28012758style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    28032760normal'>from</b></span><b style='mso-bidi-font-weight:normal'> CIF file</b>
    28042761This reads structure factors (as F**2 or F) and sig(F**2 or F) from a .CIF (or
    2805 .<span class=SpellE>cif</span>) or .FCF (or .<span class=SpellE>fcf</span>)
    2806 format file. The file names are found in a directory dialog; you can change
     2762.<span class=SpellE>cif</span>) or .FCF (or .<span class=SpellE>fcf</span>) format
     2763file. The file names are found in a directory dialog; you can change
    28072764directories as needed. The internal structure of this file indicates in which
    28082765form the structure factors are used.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
    28092766
    28102767<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2811 auto;text-indent:-.25in;mso-list:l15 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
     2768auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
    28122769style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    28132770style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    28192776the file.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
    28202777
    2821 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo1'><![if !supportLists]><span
     2778<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
    28222779style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    28232780style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    28252782
    28262783<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2827 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2784auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28282785style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    28292786style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28322789
    28332790<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2834 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2791auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28352792style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    28362793style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28412798
    28422799<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2843 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2800auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28442801style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    28452802style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28482805
    28492806<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2850 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2807auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28512808style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    28522809style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28582815
    28592816<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2860 auto;text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2817auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28612818style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    28622819style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28652822
    28662823<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    2867 text-indent:-.25in;mso-list:l15 level2 lfo1'><![if !supportLists]><span
     2824text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
    28682825style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    28692826style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    29112868window provides the main controls for the refinement calculations in GSAS-II.
    29122869Two of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
    2913 MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms
    2914 wrapped in python as provided in the <span class=SpellE>Scipy</span> package
    2915 and a third one is a python version utilizing only the <span class=SpellE>numpy</span>
    2916 package. The purpose is to </span>minimize the sum of the squares of M<span
    2917 style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
    2918 variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
     2870MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
     2871algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
     2872package and a third one is a python version utilizing only the <span
     2873class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
     2874the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
     2875nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
    29192876algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
    29202877routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
     
    29282885<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    29292886
    2930 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo2'><![if !supportLists]><span
     2887<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
    29312888style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    29322889style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    29402897Hessian&#8217; for routine work.<o:p></o:p></span></p>
    29412898
    2942 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo2'><![if !supportLists]><span
     2899<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
    29432900style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    29442901style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    29502907to 1.0.<o:p></o:p></span></p>
    29512908
    2952 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo2'><![if !supportLists]><span
     2909<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
    29532910style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    29542911style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    29622919performance.<o:p></o:p></span></p>
    29632920
    2964 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo2'><![if !supportLists]><span
     2921<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
    29652922style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    29662923style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    29742931cycles.<o:p></o:p></span></p>
    29752932
    2976 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo2'><![if !supportLists]><span
     2933<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
    29772934style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    29782935style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    30062963<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    30072964
    3008 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo3'><![if !supportLists]><span
     2965<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo3'><![if !supportLists]><span
    30092966style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    30102967style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    30132970the &#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217;</b> menu.<o:p></o:p></span></p>
    30142971
    3015 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo3'><![if !supportLists]><span
     2972<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo3'><![if !supportLists]><span
    30162973style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    30172974style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    30202977
    30212978<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3022 auto;text-indent:-.25in;mso-list:l22 level2 lfo3'><![if !supportLists]><span
     2979auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
    30232980style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    30242981style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    30382995
    30392996<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3040 auto;text-indent:-.25in;mso-list:l22 level2 lfo3'><![if !supportLists]><span
     2997auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
    30412998style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    30422999style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    30573014
    30583015<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3059 auto;text-indent:-.25in;mso-list:l22 level2 lfo3'><![if !supportLists]><span
     3016auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
    30603017style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    30613018style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    30753032
    30763033<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3077 text-indent:-.25in;mso-list:l22 level2 lfo3'><![if !supportLists]><span
     3034text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
    30783035style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    30793036style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    30983055can I do here?<span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></h5>
    30993056
    3100 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3057<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31013058style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    31023059style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31053062&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217;</b> menu.<o:p></o:p></span></p>
    31063063
    3107 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3064<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31083065style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    31093066style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31133070Default value for the weight factor is 1.0.<o:p></o:p></span></p>
    31143071
    3115 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3072<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31163073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    31173074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31193076use the restraints in subsequent refinements. Default is to use the restraints.<o:p></o:p></span></p>
    31203077
    3121 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3078<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31223079style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    31233080style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31253082range used to find the bonds/angles that meet your criteria for restraint.<o:p></o:p></span></p>
    31263083
    3127 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3084<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31283085style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    31293086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31363093by the weight factor).<o:p></o:p></span></p>
    31373094
    3138 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo4'><![if !supportLists]><span
     3095<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
    31393096style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    31403097style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31443101
    31453102<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3146 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3103auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    31473104style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    31483105style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31543111
    31553112<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3156 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3113auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    31573114style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    31583115style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31613118&#8211; this takes you through a sequence of dialog boxes which ask for the
    31623119identities of the atoms involved in the restraint and the value to be assigned
    3163 to the restraint. The <span class=SpellE>esd</span> is given a default value
    3164 which can be changed after the restraints are created.<o:p></o:p></span></p>
    3165 
    3166 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3167 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3120to the restraint. The <span class=SpellE>esd</span> is given a default value which
     3121can be changed after the restraints are created.<o:p></o:p></span></p>
     3122
     3123<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3124auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    31683125style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    31693126style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31763133
    31773134<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3178 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3135auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    31793136style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    31803137style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31963153
    31973154<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3198 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3155auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    31993156style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    32003157style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    32053162
    32063163<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3207 auto;text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3164auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    32083165style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    32093166style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    32153172
    32163173<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3217 text-indent:-.25in;mso-list:l13 level2 lfo4'><![if !supportLists]><span
     3174text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
    32183175style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    32193176style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    32243181restraints.<o:p></o:p></span></p>
    32253182
    3226 <h4><a name="Rigid_bodies"></a><a name="_Ref355170529"></a><a
    3227 name="_Rigid_bodies"></a><span style='mso-bookmark:Rigid_bodies'><span
    3228 style='mso-bookmark:_Ref355170529'><span style='mso-fareast-font-family:"Times New Roman"'>Rigid
    3229 bodies</span></span></span><span style='mso-bookmark:Rigid_bodies'><span
    3230 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4>
     3183<h4><a name="Rigid_bodies"><span style='mso-fareast-font-family:"Times New Roman"'>Rigid
     3184bodies<o:p></o:p></span></a></h4>
    32313185
    32323186<span style='mso-bookmark:Rigid_bodies'></span>
     
    32413195can I do here?<span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></h5>
    32423196
    3243 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo29'><![if !supportLists]><span
     3197<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
    32443198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    32453199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    32493203whether a rigid body has been defined.<o:p></o:p></span></p>
    32503204
    3251 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo29'><![if !supportLists]><span
     3205<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
    32523206style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    32533207style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    32573211
    32583212<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3259 auto;text-indent:-.25in;mso-list:l26 level2 lfo29'><![if !supportLists]><b
     3213auto;text-indent:-.25in;mso-list:l25 level2 lfo5'><![if !supportLists]><b
    32603214style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
    32613215style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    32703224
    32713225<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3272 auto;text-indent:-.25in;mso-list:l26 level2 lfo29'><![if !supportLists]><span
     3226auto;text-indent:-.25in;mso-list:l25 level2 lfo5'><![if !supportLists]><span
    32733227style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    32743228style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    32753229style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Import
    32763230XYZ</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    3277 (Residue rigid bodies) this reads a text file containing a set of Cartesian coordinates
    3278 describing a rigid body model. Each line has atom type (e.g. C, Na, etc.) and
    3279 Cartesian X, Y and Z.<o:p></o:p></span></p>
    3280 
    3281 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3282 auto;text-indent:-.25in;mso-list:l26 level2 lfo29'><![if !supportLists]><span
     3231(Residue rigid bodies) this reads a text file containing a set of Cartesian
     3232coordinates describing a rigid body model. Each line has atom type (e.g. C, Na,
     3233etc.) and Cartesian X, Y and Z.<o:p></o:p></span></p>
     3234
     3235<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3236auto;text-indent:-.25in;mso-list:l25 level2 lfo5'><![if !supportLists]><span
    32833237style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    32843238style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    32853239style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Define
    3286 sequence</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    3287 (Residue rigid bodies) this defines a variable torsion angle in a sequence of
    3288 dialog boxes. The first one asks for the origin and the second asks for the
    3289 pivot atom for the torsion from the nearest neighbors to the origin atom; the
    3290 atoms that ride on the selected torsion are automatically found from their bond
    3291 lengths.<o:p></o:p></span></p>
    3292 
    3293 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3294 auto;text-indent:-.25in;mso-list:l26 level2 lfo29'><![if !supportLists]><span
     3240sequence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     3241&#8211; (Residue rigid bodies) this defines a variable torsion angle in a
     3242sequence of dialog boxes. The first one asks for the origin and the second asks
     3243for the pivot atom for the torsion from the nearest neighbors to the origin
     3244atom; the atoms that ride on the selected torsion are automatically found from
     3245their bond lengths.<o:p></o:p></span></p>
     3246
     3247<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3248auto;text-indent:-.25in;mso-list:l25 level2 lfo5'><![if !supportLists]><span
    32953249style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    32963250style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    32973251style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Import
    3298 residues</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    3299 (Residue rigid bodies) this reads a predetermined macro file that contains
    3300 standard (<span class=SpellE>Engh</span> &amp; Huber) coordinates for the amino
    3301 acids found in natural proteins along with predetermined variable torsion angle
    3302 definitions.<o:p></o:p></span></p>
    3303 
    3304 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo29'><![if !supportLists]><span
     3252residues</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     3253&#8211; (Residue rigid bodies) this reads a predetermined macro file that
     3254contains standard (<span class=SpellE>Engh</span> &amp; Huber) coordinates for
     3255the amino acids found in natural proteins along with predetermined variable
     3256torsion angle definitions.<o:p></o:p></span></p>
     3257
     3258<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
    33053259style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    33063260style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    33093263effect on the plot.<o:p></o:p></span></p>
    33103264
    3311 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l26 level1 lfo29'><![if !supportLists]><span
     3265<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
    33123266style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    33133267style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    33273281<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    33283282
    3329 <h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
     3283<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo6'><![if !supportLists]><span
    33303284style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    33313285normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
     
    33363290variance-covariance matrix for the refinement with that data set.<o:p></o:p></span></h5>
    33373291
    3338 <h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
     3292<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo6'><![if !supportLists]><span
    33393293style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    33403294normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>2.<span
     
    33463300are also shown.<o:p></o:p></span></h5>
    33473301
    3348 <h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l25 level1 lfo5'><![if !supportLists]><span
     3302<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo6'><![if !supportLists]><span
    33493303style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    33503304normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>3.<span
     
    33563310normal;mso-bidi-font-weight:bold'><o:p></o:p></span></h5>
    33573311
    3358 <h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l25 level2 lfo5'><![if !supportLists]><span
     3312<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l24 level2 lfo6'><![if !supportLists]><span
    33593313style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    33603314normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
     
    33693323<h3>Histograms</h3>
    33703324
    3371 <p class=MsoNormal>These are shown in the data tree with a prefix of
    3372 &#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, or &#8216;PDF&#8217;
    3373 and usually a file name. These constitute the data sets
    3374 (&#8216;Histograms&#8217;) to be used by GSAS-II for analysis. Selection of these
    3375 items does not produce any information in the data window but does display the
    3376 data in the Plots Window. They are described below.</p>
     3325<p class=MsoNormal>These are shown in the data tree with a prefix of &#8216;PWDR&#8217;,
     3326&#8217;HKLF&#8217;, &#8216;IMG&#8217;, or &#8216;PDF&#8217; and usually a file
     3327name. These constitute the data sets (&#8216;Histograms&#8217;) to be used by
     3328GSAS-II for analysis. Selection of these items does not produce any information
     3329in the data window but does display the data in the Plots Window. They are
     3330described below.</p>
    33773331
    33783332<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
     
    33883342style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
    33893343
    3390 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l27 level1 lfo6'><span
     3344<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo7'><span
    33913345style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
    33923346"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    33953349
    33963350<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3397 text-indent:-.25in;mso-list:l23 level1 lfo7'><span style='mso-bookmark:Comments'><![if !supportLists]><span
     3351text-indent:-.25in;mso-list:l22 level1 lfo8'><span style='mso-bookmark:Comments'><![if !supportLists]><span
    33983352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    33993353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34013355style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
    34023356&#8211; this produces a &#8216;normal probability&#8217; plot for the
    3403 refinement result as bounded by the limits. The slope and intercept of the
    3404 curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
    3405 Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
     3357refinement result as bounded by the limits. The slope and intercept of the curve
     3358in the central region (-1 &lt; </span></span><span style='mso-bookmark:Comments'><span
     3359style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
    34063360style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
    34073361style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
     
    34323386<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    34333387
    3434 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
     3388<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo9'><![if !supportLists]><span
    34353389style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    34363390style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    34373391style='mso-fareast-font-family:"Times New Roman"'>You can change <span
    3438 class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
    3439 &#8216;changed&#8217; row as needed. Use the mouse to select the value to be
    3440 changed (the background on the box will be blue or have a black border or a
    3441 vertical bar will appear in the value), then enter the new value and press
    3442 Enter or click the mouse elsewhere in the Limits window. This will set the new
    3443 value.<o:p></o:p></span></p>
    3444 
    3445 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
     3392class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the &#8216;changed&#8217;
     3393row as needed. Use the mouse to select the value to be changed (the background
     3394on the box will be blue or have a black border or a vertical bar will appear in
     3395the value), then enter the new value and press Enter or click the mouse
     3396elsewhere in the Limits window. This will set the new value.<o:p></o:p></span></p>
     3397
     3398<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo9'><![if !supportLists]><span
    34463399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    34473400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    34533406&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
    34543407
    3455 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
     3408<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo9'><![if !supportLists]><span
    34563409style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    34573410style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    34603413
    34613414<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3462 text-indent:-.25in;mso-list:l5 level2 lfo8;tab-stops:list 1.0in'><![if !supportLists]><span
     3415text-indent:-.25in;mso-list:l5 level2 lfo9;tab-stops:list 1.0in'><![if !supportLists]><span
    34633416style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    34643417style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    34653418style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
    3466 style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the limits
    3467 shown to other selected powder patterns. If used, a dialog box (Copy
     3419style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
     3420limits shown to other selected powder patterns. If used, a dialog box (Copy
    34683421Parameters) will appear showing the list of available powder patterns, you can
    34693422copy the limits parameters to any or all of them; select &#8216;All&#8217; to
     
    35483501<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    35493502
    3550 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3503<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    35513504style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    35523505style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    35553508
    35563509<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3557 auto;text-indent:-.25in;mso-list:l4 level1 lfo10'><![if !supportLists]><span
     3510auto;text-indent:-.25in;mso-list:l4 level1 lfo11'><![if !supportLists]><span
    35583511style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    35593512style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    35673520
    35683521<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3569 auto;text-indent:-.25in;mso-list:l4 level1 lfo10'><![if !supportLists]><span
     3522auto;text-indent:-.25in;mso-list:l4 level1 lfo11'><![if !supportLists]><span
    35703523style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    35713524style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    35793532&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
    35803533
    3581 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3534<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    35823535style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    35833536style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    35853538Background function from the pull down tab.<o:p></o:p></span></p>
    35863539
    3587 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3540<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    35883541style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    35893542style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    35913544refine the background coefficients.<o:p></o:p></span></p>
    35923545
    3593 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3546<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    35943547style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    35953548style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    35973550background coefficients to be used (1-36).<o:p></o:p></span></p>
    35983551
    3599 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3552<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    36003553style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    36013554style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    36043557mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
    36053558
    3606 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3559<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    36073560style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    36083561style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    36133566with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
    36143567
    3615 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l24 level1 lfo9'><![if !supportLists]><span
     3568<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
    36163569style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    36173570style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3618 style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
    3619 Bragg peaks into the background. For each you should specify at least the
    3620 position. Select parameters to refine; usually start with the &#8216;<span
    3621 class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
     3571style='mso-fareast-font-family:"Times New Roman"'>You can introduce single Bragg
     3572peaks into the background. For each you should specify at least the position.
     3573Select parameters to refine; usually start with the &#8216;<span class=SpellE>int</span>&#8217;
     3574coefficients.<o:p></o:p></span></p>
    36223575
    36233576<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
     
    36303583default values (in parentheses), dashed lines from the refined values and
    36313584&#8216;+&#8217; for individual entries in the &#8216;<span class=SpellE><span
    3632 style='color:#0070C0'><a href="#Peak_List">Peak_List</a></span></span></span></p>
    3633 
    3634 <a href="#Peak_List"><span style='font-size:12.0pt;font-family:"Times New Roman","serif";
    3635 mso-fareast-font-family:"Times New Roman";color:#0070C0;mso-ansi-language:EN-US;
    3636 mso-fareast-language:EN-US;mso-bidi-language:AR-SA;text-decoration:none;
    3637 text-underline:none'>&#8217;</span><span style='font-size:12.0pt;font-family:
    3638 "Times New Roman","serif";mso-fareast-font-family:"Times New Roman";color:windowtext;
    3639 mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA;
    3640 text-decoration:none;text-underline:none'>. </span></a><span
    3641 class=MsoHyperlink><span style='font-size:12.0pt;font-family:"Times New Roman","serif";
    3642 mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast;
    3643 color:windowtext;mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:
    3644 AR-SA;text-decoration:none;text-underline:none'><o:p></o:p></span></span>
    3645 
    3646 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3647 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3648 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>What
    3649 can I do here?</span></span></a></span><span class=MsoHyperlink><span
    3650 style='color:#00B0F0;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h5>
    3651 
    3652 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo11'><![if !supportLists]><span
     3585style='color:#0070C0'>Peak_List</span></span>&#8217;. </span><span
     3586class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3587text-underline:none'><o:p></o:p></span></span></p>
     3588
     3589<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><span
     3590class=MsoHyperlink><span style='color:#00B0F0;text-decoration:none;text-underline:
     3591none'><o:p></o:p></span></span></h5>
     3592
     3593<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo12'><![if !supportLists]><span
    36533594class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    36543595color:windowtext;text-decoration:none;text-underline:none'><span
    36553596style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    36563597</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    3657 "Times New Roman"'><a href="#Peak_List"><span style='color:windowtext;
    3658 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Menu
    3659 &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;</span></span></a><span
    3660 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3661 text-underline:none'><o:p></o:p></span></span></span></p>
    3662 
    3663 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3664 auto;text-indent:-.25in;mso-list:l20 level2 lfo12;tab-stops:list 1.0in'><![if !supportLists]><span
     3598"Times New Roman"'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217;
     3599&#8211;<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     3600none;text-underline:none'><o:p></o:p></span></span></span></p>
     3601
     3602<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3603auto;text-indent:-.25in;mso-list:l19 level2 lfo13;tab-stops:list 1.0in'><![if !supportLists]><span
    36653604class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    36663605color:windowtext;text-decoration:none;text-underline:none'><span
    36673606style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    36683607</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3669 style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3670 style='color:windowtext;text-decoration:none;text-underline:none'><span
    3671 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Load
    3672 profile&#8230; <span style='font-weight:normal'>- loads a GSAS-II instrument
     3608style='mso-fareast-font-family:"Times New Roman"'>Load profile&#8230; </span></b><span
     3609style='mso-fareast-font-family:"Times New Roman"'>- loads a GSAS-II instrument
    36733610parameter file (name.instprm), replacing the existing instrument parameter
    3674 values. All refinement flags are unset.</span></span></span></a><span
    3675 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3676 text-underline:none'><o:p></o:p></span></span></span></b></p>
    3677 
    3678 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3679 auto;text-indent:-.25in;mso-list:l20 level2 lfo12;tab-stops:list 1.0in'><![if !supportLists]><span
     3611values. All refinement flags are unset.<span class=MsoHyperlink><b
     3612style='mso-bidi-font-weight:normal'><span style='color:windowtext;text-decoration:
     3613none;text-underline:none'><o:p></o:p></span></b></span></span></p>
     3614
     3615<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3616auto;text-indent:-.25in;mso-list:l19 level2 lfo13;tab-stops:list 1.0in'><![if !supportLists]><span
    36803617class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    36813618color:windowtext;text-decoration:none;text-underline:none'><span
    36823619style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    36833620</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3684 style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3685 style='color:windowtext;text-decoration:none;text-underline:none'><span
    3686 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Save
    3687 profile&#8230; - <span style='font-weight:normal'>saves the current instrument
     3621style='mso-fareast-font-family:"Times New Roman"'>Save profile&#8230; - </span></b><span
     3622style='mso-fareast-font-family:"Times New Roman"'>saves the current instrument
    36883623parameter values in a simple text file (name.instprm); you will be prompted for
    36893624the file name &#8211; do not change the extension. This file may be edited but
     
    36913626records or add new parameter records as this will invalidate the file. You may
    36923627only change the numeric values if necessary. You can change or add comment
    3693 records (begins with &#8216;#&#8217;).</span></span></span></a><span
    3694 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3695 text-underline:none'><o:p></o:p></span></span></span></b></p>
    3696 
    3697 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3698 auto;text-indent:-.25in;mso-list:l20 level2 lfo12;tab-stops:list 1.0in'><![if !supportLists]><span
     3628records (begins with &#8216;#&#8217;).<span class=MsoHyperlink><b
     3629style='mso-bidi-font-weight:normal'><span style='color:windowtext;text-decoration:
     3630none;text-underline:none'><o:p></o:p></span></b></span></span></p>
     3631
     3632<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3633auto;text-indent:-.25in;mso-list:l19 level2 lfo13;tab-stops:list 1.0in'><![if !supportLists]><span
    36993634class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    37003635color:windowtext;text-decoration:none;text-underline:none'><span
    37013636style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    37023637</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3703 style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3704 style='color:windowtext;text-decoration:none;text-underline:none'><span
    3705 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Reset
    3706 profile <span style='font-weight:normal'>&#8211; resets the values for the
    3707 instrument parameters to the default values shown in parentheses for each
    3708 entry.</span></span></span></a><span class=MsoHyperlink><span style='color:
    3709 windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></b></p>
    3710 
    3711 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3712 auto;text-indent:-.25in;mso-list:l20 level2 lfo12;tab-stops:list 1.0in'><![if !supportLists]><span
     3638style='mso-fareast-font-family:"Times New Roman"'>Reset profile </span></b><span
     3639style='mso-fareast-font-family:"Times New Roman"'>&#8211; resets the values for
     3640the instrument parameters to the default values shown in parentheses for each
     3641entry.<span class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
     3642style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></b></span></span></p>
     3643
     3644<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3645auto;text-indent:-.25in;mso-list:l19 level2 lfo13;tab-stops:list 1.0in'><![if !supportLists]><span
    37133646class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    37143647color:windowtext;text-decoration:none;text-underline:none'><span
    37153648style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    37163649</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3717 style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3718 style='color:windowtext;text-decoration:none;text-underline:none'><span
    3719 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Copy<span
    3720 style='font-weight:normal'> &#8211; this copies the instrument parameters shown
    3721 to other selected powder patterns. If used, a dialog box (Copy parameters) will
    3722 appear showing the list of available powder patterns, you can copy the
    3723 instrument parameters to any or all of them; select &#8216;All&#8217; to copy
    3724 them to all patterns. Then select &#8216;OK&#8217; to do the copy;
    3725 &#8216;Cancel&#8217; to cancel the operation. The copy will only work for
    3726 instrument parameters that are commensurate with the one that is shown, e.g.
    3727 single radiation patterns will not be updated from K</span><sub><span
    3728 style='font-family:Symbol;font-weight:normal'>a</span></sub><sub><span
    3729 style='font-weight:normal'>1</span></sub><span style='font-weight:normal'>/K</span><sub><span
    3730 style='font-family:Symbol;font-weight:normal'>a</span></sub><sub><span
    3731 style='font-weight:normal'>2</span></sub><span style='font-weight:normal'>
    3732 ones.</span></span></span></a></span></b><span class=MsoHyperlink><span
    3733 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    3734 none;text-underline:none'><o:p></o:p></span></span></p>
    3735 
    3736 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3737 auto;text-indent:-.25in;mso-list:l20 level2 lfo12;tab-stops:list 1.0in'><![if !supportLists]><span
     3650style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
     3651style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
     3652instrument parameters shown to other selected powder patterns. If used, a dialog
     3653box (Copy parameters) will appear showing the list of available powder
     3654patterns, you can copy the instrument parameters to any or all of them; select
     3655&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
     3656do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
     3657work for instrument parameters that are commensurate with the one that is
     3658shown, e.g. single radiation patterns will not be updated from K</span><sub><span
     3659style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
     3660style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
     3661style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
     3662style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
     3663style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
     3664style='mso-fareast-font-family:"Times New Roman"'> ones.<span
     3665class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3666text-underline:none'><o:p></o:p></span></span></span></p>
     3667
     3668<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3669auto;text-indent:-.25in;mso-list:l19 level2 lfo13;tab-stops:list 1.0in'><![if !supportLists]><span
    37383670class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    37393671color:windowtext;text-decoration:none;text-underline:none'><span
    37403672style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    37413673</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    3742 style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
    3743 style='color:windowtext;text-decoration:none;text-underline:none'><span
    3744 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Copy
    3745 flags <span style='font-weight:normal'>- &#8211; this copies the instrument
    3746 parameter refinement flags shown to other selected powder patterns. If used, a
    3747 dialog box (Copy refinement flags) will appear showing the list of available
    3748 powder patterns, you can copy the instrument parameter refinement flags to any
    3749 or all of them; select &#8216;All&#8217; to copy them to all patterns. Then
    3750 select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the
    3751 operation. The copy will only work for instrument parameters that are
    3752 commensurate with the one that is shown, e.g. single radiation patterns will
    3753 not be updated from K</span><sub><span style='font-family:Symbol;font-weight:
    3754 normal'>a</span></sub><sub><span style='font-weight:normal'>1</span></sub><span
    3755 style='font-weight:normal'>/K</span><sub><span style='font-family:Symbol;
    3756 font-weight:normal'>a</span></sub><sub><span style='font-weight:normal'>2</span></sub><span
    3757 style='font-weight:normal'> ones.</span></span></span></a></span></b><span
    3758 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3759 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    3760 
    3761 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo11'><![if !supportLists]><span
     3674style='mso-fareast-font-family:"Times New Roman"'>Copy flags </span></b><span
     3675style='mso-fareast-font-family:"Times New Roman"'>- &#8211; this copies the
     3676instrument parameter refinement flags shown to other selected powder patterns.
     3677If used, a dialog box (Copy refinement flags) will appear showing the list of
     3678available powder patterns, you can copy the instrument parameter refinement
     3679flags to any or all of them; select &#8216;All&#8217; to copy them to all
     3680patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to
     3681cancel the operation. The copy will only work for instrument parameters that
     3682are commensurate with the one that is shown, e.g. single radiation patterns
     3683will not be updated from K</span><sub><span style='font-family:Symbol;
     3684mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
     3685style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
     3686style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
     3687style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
     3688style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
     3689style='mso-fareast-font-family:"Times New Roman"'> ones.<span
     3690class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3691text-underline:none'><o:p></o:p></span></span></span></p>
     3692
     3693<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo12'><![if !supportLists]><span
    37623694class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    37633695color:windowtext;text-decoration:none;text-underline:none'><span
    37643696style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    37653697</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    3766 "Times New Roman"'><a href="#Peak_List"><span style='color:windowtext;
    3767 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>You
    3768 can change any of the profile coefficients</span></span></a><span
     3698"Times New Roman"'>You can change any of the profile coefficients<span
    37693699class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    37703700text-underline:none'><o:p></o:p></span></span></span></p>
    37713701
    3772 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo11'><![if !supportLists]><span
     3702<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo12'><![if !supportLists]><span
    37733703class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    37743704color:windowtext;text-decoration:none;text-underline:none'><span
    37753705style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    37763706</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    3777 "Times New Roman"'><a href="#Peak_List"><span style='color:windowtext;
    3778 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>You
    3779 can choose to refine any profile coefficients. <b style='mso-bidi-font-weight:
    3780 normal'>NB</b>: In certain circumstances some choices are ignored e.g. Zero is
    3781 not refined during peak fitting. Also some choices may lead to unstable refinement,
    3782 e.g. Lam refinement and lattice parameter refinement. Examine the &#8216;<span
    3783 style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><span
    3784 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><u><span
    3785 style='mso-fareast-font-family:"Times New Roman";color:blue'>Covariance&#8217;</span></u></span></span>
    3786 display for highly correlated parameters.</span></span></a><span
     3707"Times New Roman"'>You can choose to refine any profile coefficients. <b
     3708style='mso-bidi-font-weight:normal'>NB</b>: In certain circumstances some
     3709choices are ignored e.g. Zero is not refined during peak fitting. Also some
     3710choices may lead to unstable refinement, e.g. Lam refinement and lattice
     3711parameter refinement. Examine the &#8216;</span><a href="#Covariance"><span
     3712style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
     3713none;text-underline:none'>Covariance&#8217;</span></a><span style='mso-fareast-font-family:
     3714"Times New Roman"'> display for highly correlated parameters.<span
    37873715class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    37883716text-underline:none'><o:p></o:p></span></span></span></p>
    37893717
    37903718<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
    3791 "Times New Roman"'><a href="#Peak_List"><span style='color:#4F81BD;mso-themecolor:
    3792 accent1'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>Sample
    3793 Parameters</span></span></a><span class=MsoHyperlink><span style='color:#4F81BD;
    3794 mso-themecolor:accent1'><o:p></o:p></span></span></span></u></h4>
    3795 
    3796 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    3797 href="#Covariance"><span style='color:windowtext;text-decoration:none;
    3798 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>This
     3719"Times New Roman"'>Sample Parameters<span class=MsoHyperlink><span
     3720style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></span></u></h4>
     3721
     3722<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
    37993723window show the various sample dependent parameters for this powder pattern.
    38003724The presence of a refine button indicates which can be refined while others are
    3801 fixed. All values can be changed in this window. NB: for powder data be sure
    3802 the correct instrument type is selected (<b style='mso-bidi-font-weight:normal'>Debye-Scherrer</b>
    3803 or <b style='mso-bidi-font-weight:normal'>Bragg-Brentano</b>).</span></span></a><span
     3725fixed. All values can be changed in this window. NB: for powder data <span
     3726class=GramE>be</span> sure the correct instrument type is selected (<b
     3727style='mso-bidi-font-weight:normal'>Debye-<span class=SpellE>Scherrer</span></b>
     3728or <b style='mso-bidi-font-weight:normal'>Bragg-Brentano</b>).<span
    38043729class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    38053730text-underline:none'><o:p></o:p></span></span></span></p>
    38063731
    3807 <h5><a name="Powder_Peaks"></a><a href="#Covariance"><span style='mso-bookmark:
    3808 Powder_Peaks'><span style='color:#4F4FFF;text-decoration:none;text-underline:
    3809 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3810 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span></span></span></span></a><span
    3811 style='mso-bookmark:Powder_Peaks'><span class=MsoHyperlink><span
    3812 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3813 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3814 
    3815 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo13'><span
     3732<h5><a name="Powder_Peaks"><span style='mso-fareast-font-family:"Times New Roman"'>What
     3733can I do here?</span></a><span style='mso-bookmark:Powder_Peaks'><span
     3734class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3735color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
     3736none;text-underline:none'><o:p></o:p></span></span></span></h5>
     3737
     3738<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo14'><span
    38163739style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    38173740class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38183741color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    38193742none;text-underline:none'><span style='mso-list:Ignore'>1.<span
    3820 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3821 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><span
    3822 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3823 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
     3743style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    38243744style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3825 normal;mso-bidi-font-weight:bold'>Menu &#8216;</span><span style='mso-fareast-font-family:
    3826 "Times New Roman";color:windowtext'>File&#8217;</span><span style='mso-fareast-font-family:
    3827 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    3828 bold'> &#8211; </span></span></span></span></a><span style='mso-bookmark:Powder_Peaks'><span
     3745normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
     3746style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3747color:windowtext'>File&#8217;</span></span><span style='mso-bookmark:Powder_Peaks'><span
     3748style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     3749normal;mso-bidi-font-weight:bold'> &#8211; <span class=MsoHyperlink><span
     3750style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3751
     3752<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo14;
     3753tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3754class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3755color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
     3756none;text-underline:none'><span style='mso-list:Ignore'>a.<span
     3757style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3758style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Load</span></span><span
     3759style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3760color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; this
     3761loads sample parameters from a previously saved .<span class=SpellE>samprm</span>
     3762file.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     3763none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3764
     3765<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo14;
     3766tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3767class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3768color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
     3769none;text-underline:none'><span style='mso-list:Ignore'>b.<span
     3770style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3771style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Save</span></span><span
     3772style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3773color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; this
     3774saves the sample parameters to a file with the extension &#8217;.samprm&#8217;.
     3775A file dialog box will appear to ask for the file name.<span
     3776class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3777text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3778
     3779<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
     3780text-indent:-.25in;mso-list:l8 level2 lfo14;tab-stops:list 1.0in'><span
     3781style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3782class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3783color:windowtext;text-decoration:none;text-underline:none'><span
     3784style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3785</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3786style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span
     3787style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
     3788&#8211; this copies the sample parameters shown to other selected powder
     3789patterns. If used, a dialog box (Copy parameters) will appear showing the list
     3790of available powder patterns, you can copy the sample parameters to any or all
     3791of them; select &#8216;All&#8217; to copy them to all patterns. Then select
     3792&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation. <span
     3793class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3794text-underline:none'><o:p></o:p></span></span></span></span></p>
     3795
     3796<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
     3797text-indent:-.25in;mso-list:l8 level2 lfo14;tab-stops:list 1.0in'><span
     3798style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3799class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3800color:windowtext;text-decoration:none;text-underline:none'><span
     3801style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3802</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     3803style='mso-fareast-font-family:"Times New Roman"'>Copy flags</span></b></span><span
     3804style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
     3805- &#8211; this copies the sample parameter refinement flags shown to other
     3806selected powder patterns. If used, a dialog box (Copy refinement flags) will
     3807appear showing the list of available powder patterns, you can copy the sample parameter
     3808refinement flags to any or all of them; select &#8216;All&#8217; to copy them
     3809to all patterns. Then select &#8216;OK&#8217; to do the copy;
     3810&#8216;Cancel&#8217; to cancel the operation. <span class=MsoHyperlink><span
     3811style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     3812
     3813<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:
     3814"Times New Roman"'>Peak List</span></span><span class=MsoHyperlink><span
     3815style='mso-fareast-font-family:"Times New Roman";color:#4F81BD;mso-themecolor:
     3816accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
     3817
     3818<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     3819window shows the list of peaks that will be used by the peak fitting
     3820refinement. It is filled by picking peaks in the powder pattern displayed in
     3821the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<span
     3822class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3823text-underline:none'><o:p></o:p></span></span></span></p>
     3824
     3825<h5><a name="Index_Peaks"><span style='mso-fareast-font-family:"Times New Roman"'>What
     3826can I do here? </span></a><span style='mso-bookmark:Index_Peaks'><span
    38293827class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    38303828color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    38313829none;text-underline:none'><o:p></o:p></span></span></span></h5>
    38323830
    3833 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo13;
    3834 tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    3835 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3836 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    3837 none;text-underline:none'><span style='mso-list:Ignore'>a.<span
    3838 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3839 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><span
    3840 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3841 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3842 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Load</span><span
    3843 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3844 normal;mso-bidi-font-weight:bold'> &#8211; this loads sample parameters from a
    3845 previously saved .samprm file.</span></span></span></span></a><span
    3846 style='mso-bookmark:Powder_Peaks'><span class=MsoHyperlink><span
    3847 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3848 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3849 
    3850 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo13;
    3851 tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    3852 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3853 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    3854 none;text-underline:none'><span style='mso-list:Ignore'>b.<span
    3855 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3856 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><span
    3857 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3858 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3859 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Save</span><span
    3860 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3861 normal;mso-bidi-font-weight:bold'> &#8211; this saves the sample parameters to
    3862 a file with the extension &#8217;.samprm&#8217;. A file dialog box will appear
    3863 to ask for the file name.</span></span></span></span></a><span
    3864 style='mso-bookmark:Powder_Peaks'><span class=MsoHyperlink><span
    3865 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3866 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3867 
    3868 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    3869 text-indent:-.25in;mso-list:l8 level2 lfo13;tab-stops:list 1.0in'><span
    3870 style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    3871 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3872 color:windowtext;text-decoration:none;text-underline:none'><span
    3873 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3874 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    3875 style='mso-bookmark:Powder_Peaks'><span style='color:windowtext;text-decoration:
    3876 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><b
    3877 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
    3878 style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    3879 sample parameters shown to other selected powder patterns. If used, a dialog
    3880 box (Copy parameters) will appear showing the list of available powder
    3881 patterns, you can copy the sample parameters to any or all of them; select
    3882 &#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
    3883 do the copy; &#8216;Cancel&#8217; to cancel the operation. </span></span></span></span></a><span
    3884 style='mso-bookmark:Powder_Peaks'><span class=MsoHyperlink><span
    3885 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    3886 none;text-underline:none'><o:p></o:p></span></span></span></p>
    3887 
    3888 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3889 text-indent:-.25in;mso-list:l8 level2 lfo13;tab-stops:list 1.0in'><span
    3890 style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    3891 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3892 color:windowtext;text-decoration:none;text-underline:none'><span
    3893 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3894 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    3895 style='mso-bookmark:Powder_Peaks'><span style='color:windowtext;text-decoration:
    3896 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><b
    3897 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    3898 flags</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
    3899 &#8211; this copies the sample parameter refinement flags shown to other
    3900 selected powder patterns. If used, a dialog box (Copy refinement flags) will
    3901 appear showing the list of available powder patterns, you can copy the sample
    3902 parameter refinement flags to any or all of them; select &#8216;All&#8217; to
    3903 copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
    3904 &#8216;Cancel&#8217; to cancel the operation. </span></span></span></span></a><span
    3905 style='mso-bookmark:Powder_Peaks'><span class=MsoHyperlink><span
    3906 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    3907 none;text-underline:none'><o:p></o:p></span></span></span></p>
    3908 
    3909 <h4><span style='mso-bookmark:Powder_Peaks'><a name="_Ref350849079"></a><a
    3910 name="Peak_List"></a><span style='mso-bookmark:_Ref350849079'></span></span><a
    3911 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><span
    3912 style='mso-bookmark:_Ref350849079'><span style='color:#4F81BD;mso-themecolor:
    3913 accent1;text-decoration:none;text-underline:none'><span style='mso-field-code:
    3914 " HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span style='mso-fareast-font-family:
    3915 "Times New Roman"'>Peak List</span></span></span></span></span></a><span
    3916 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    3917 color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    3918 
    3919 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    3920 href="#Covariance"><span style='color:windowtext;text-decoration:none;
    3921 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>This
    3922 window shows the list of peaks that will be used by the peak fitting refinement.
    3923 It is filled by picking peaks in the powder pattern displayed in the GSASII
    3924 Plots window as a sequence of &#8216;+&#8217; marks.</span></span></a><span
    3925 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    3926 text-underline:none'><o:p></o:p></span></span></span></p>
    3927 
    3928 <h5><a name="Index_Peaks"></a><a href="#Covariance"><span style='mso-bookmark:
    3929 Index_Peaks'><span style='color:#4F4FFF;text-decoration:none;text-underline:
    3930 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3931 style='mso-fareast-font-family:"Times New Roman"'>What can I do here? </span></span></span></span></a><span
    3932 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    3933 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3934 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3935 
    3936 <h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo14'><span
     3831<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo15'><span
    39373832style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    39383833style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    39393834normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    39403835style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3941 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    3942 style='mso-bookmark:Index_Peaks'><span style='color:#4F4FFF;text-decoration:
    3943 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3944 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3945 normal;mso-bidi-font-weight:bold'>Menu &#8216;</span><span style='mso-fareast-font-family:
    3946 "Times New Roman";color:windowtext'>Peak Fitting</span><span style='mso-fareast-font-family:
     3836</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    39473837"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    3948 bold'>&#8217; &#8211; </span></span></span></span></a><span style='mso-bookmark:
    3949 Index_Peaks'><span class=MsoHyperlink><span style='mso-fareast-font-family:
    3950 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    3951 bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3952 
    3953 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3838bold'>Menu &#8216;</span></span><span style='mso-bookmark:Index_Peaks'><span
     3839style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Peak Fitting</span></span><span
     3840style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3841color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <span
     3842class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3843text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3844
     3845<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    39543846tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    39553847class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39563848color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    39573849none;text-underline:none'><span style='mso-list:Ignore'>a.<span
    3958 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3959 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    3960 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3961 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3962 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Auto search</span><span
    3963 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3964 normal;mso-bidi-font-weight:bold'> &#8211; this fills the table with peak
    3965 positions. These are selected based on peak tops that are substantially above
    3966 background. Noisy data will give spurious peaks and small peaks or shoulders
    3967 will not be found. Examine results &amp; modify as needed.</span></span></span></span></a><span
    3968 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    3969 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3970 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3971 
    3972 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3850style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3851style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Auto search</span></span><span
     3852style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3853color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; this
     3854fills the table with peak positions. These are selected based on peak tops that
     3855are substantially above background. Noisy data will give spurious peaks and
     3856small peaks or shoulders will not be found. Examine results &amp; modify as
     3857needed.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     3858none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3859
     3860<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    39733861tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    39743862class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39753863color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    39763864none;text-underline:none'><span style='mso-list:Ignore'>b.<span
    3977 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3978 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    3979 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    3980 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    3981 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span><span
    3982 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3983 normal;mso-bidi-font-weight:bold'> &#8211; resets peak parameters, background
    3984 and instrument parameter values varied in the last peak fitting refinement back
    3985 to their original values. Use this to recover from a failed refinement.
    3986 Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is only a single level
    3987 of recovery available.</span></span></span></span></a><span style='mso-bookmark:
    3988 Index_Peaks'><span class=MsoHyperlink><span style='mso-fareast-font-family:
    3989 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    3990 bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    3991 
    3992 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3865style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3866class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
     3867style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3868color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
     3869peak parameters, background and instrument parameter values varied in the last
     3870peak fitting refinement back to their original values. Use this to recover from
     3871a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
     3872only a single level of recovery available.<span class=MsoHyperlink><span
     3873style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3874
     3875<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    39933876tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    39943877class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    39953878color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    39963879none;text-underline:none'><span style='mso-list:Ignore'>c.<span
    3997 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    3998 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    3999 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4000 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4001 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ PeakFit</span><span
     3880style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3881style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
     3882class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
    40023883style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    40033884normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
    4004 peaks in Peak List to the data. Any peak parameters, background parameters and
    4005 instrument parameters with refine checked will be varied in this refinement.
    4006 The refinement will proceed until convergence. We suggest you vary the
    4007 intensity along with the background first (the default), then vary the position
    4008 and instrument parameters after. The order will depend on how poor is the
    4009 initial estimate of the instrument parameters (U, V, W, X, Y &amp; SH/L). To
    4010 determine how to proceed, examine in detail the powder pattern difference curve
    4011 displayed in the GSASII Plots window. If individual peaks show peak widths that
    4012 are widely different, their individual sigma and gamma parameters may be
    4013 refined. If the refinement results in negative peak coefficients, these will be
    4014 highlighted in red. If this happens, you should </span><span style='mso-fareast-font-family:
    4015 "Times New Roman";color:windowtext'>UnDo</span><span style='mso-fareast-font-family:
    4016 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    4017 bold'> the refinement and reconsider your choice of parameters to be varied.</span></span></span></span></a><span
    4018 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
     3885peaks in Peak List to the data. Any peak parameters, background parameters and instrument
     3886parameters with refine checked will be varied in this refinement. The
     3887refinement will proceed until convergence. We suggest you vary the intensity
     3888along with the background first (the default), then vary the position and
     3889instrument parameters after. The order will depend on how poor is the initial
     3890estimate of the instrument parameters (U, V, W, X, Y &amp; SH/L). To determine
     3891how to proceed, examine in detail the powder pattern difference curve displayed
     3892in the GSASII Plots window. If individual peaks show peak widths that are
     3893widely different, their individual sigma and gamma parameters may be refined.
     3894If the refinement results in negative peak coefficients, these will be
     3895highlighted in red. If this happens, you should </span></span><span
     3896style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3897color:windowtext'>UnDo</span></span><span style='mso-bookmark:Index_Peaks'><span
    40193898style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4020 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4021 
    4022 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3899normal;mso-bidi-font-weight:bold'> the refinement and reconsider your choice of
     3900parameters to be varied.<span class=MsoHyperlink><span style='color:windowtext;
     3901text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3902
     3903<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    40233904tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    40243905class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    40253906color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    40263907none;text-underline:none'><span style='mso-list:Ignore'>d.<span
    4027 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4028 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    4029 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4030 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
     3908style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    40313909style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
    4032 cycle </span><span style='mso-fareast-font-family:"Times New Roman";color:windowtext;
    4033 font-weight:normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of
    4034 least squares refinement. This can be used in difficult cases to get a
    4035 refinement started toward convergence.</span></span></span></span></a><span
    4036 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
     3910cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
    40373911style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4038 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4039 
    4040 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3912normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
     3913squares refinement. This can be used in difficult cases to get a refinement
     3914started toward convergence.<span class=MsoHyperlink><span style='color:windowtext;
     3915text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3916
     3917<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    40413918tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    40423919class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    40433920color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    40443921none;text-underline:none'><span style='mso-list:Ignore'>e.<span
    4045 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4046 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    4047 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4048 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
     3922style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    40493923style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
    4050 and gam </span><span style='mso-fareast-font-family:"Times New Roman";
    4051 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
    4052 resets the values of sigma and gamma to those computed from the instrument
    4053 parameters U, V, W, X &amp; Y.</span></span></span></span></a><span
    4054 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
     3924and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
    40553925style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4056 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4057 
    4058 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo14;
     3926normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
     3927gamma to those computed from the instrument parameters U, V, W, <span
     3928class=GramE>X</span> &amp; Y.<span class=MsoHyperlink><span style='color:windowtext;
     3929text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3930
     3931<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
    40593932tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    40603933class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    40613934color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    40623935none;text-underline:none'><span style='mso-list:Ignore'>f.<span
    4063 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4064 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    4065 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4066 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4067 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span><span
    4068 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4069 normal;mso-bidi-font-weight:bold'>&#8211; this removes all the peaks from the
    4070 Peak List.</span></span></span></span></a><span style='mso-bookmark:Index_Peaks'><span
    4071 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4072 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    4073 none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4074 
    4075 <h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo14'><span
     3936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3937style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
     3938style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3939color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
     3940removes all the peaks from the Peak List.<span class=MsoHyperlink><span
     3941style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3942
     3943<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo15'><span
    40763944style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    40773945style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    40783946normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    40793947style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4080 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    4081 style='mso-bookmark:Index_Peaks'><span style='color:#4F4FFF;text-decoration:
    4082 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4083 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4084 normal;mso-bidi-font-weight:bold'>You can add peaks to the Peak list using the
    4085 mouse on the plot by: 1) position the pointer near to the top point on a peak,
    4086 2) press the left mouse button. The selected peak will be added to the Peak
    4087 List in its correct sorted order and a blue vertical line will be plotted on
    4088 that position. Be sure that the Zoom/Pan buttons are not selected on the Plot
    4089 window. We recommend that you begin picking peaks from the right side of the
    4090 pattern; that way the tool tip won&#8217;t be in your way as you select peaks.</span></span></span></span></a><span
    4091 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    4092 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4093 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4094 
    4095 <h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo14'><span
     3948</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     3949"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     3950bold'>You can add peaks to the Peak list using the mouse on the plot by: 1)
     3951position the pointer near to the top point on a peak, 2) press the left mouse
     3952button. The selected peak will be added to the Peak List in its correct sorted
     3953order and a blue vertical line will be plotted on that position. Be sure that
     3954the Zoom/Pan buttons are not selected on the Plot window. We recommend that you
     3955begin picking peaks from the right side of the pattern; that way the tool tip
     3956won&#8217;t be in your way as you select peaks.<span class=MsoHyperlink><span
     3957style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
     3958
     3959<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo15'><span
    40963960style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    40973961style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    40983962normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    40993963style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4100 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    4101 style='mso-bookmark:Index_Peaks'><span style='color:#4F4FFF;text-decoration:
    4102 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4103 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4104 normal;mso-bidi-font-weight:bold'>You can move a Peak List item using the mouse
    4105 on the plot by: 1) position the pointer on the blue line for the peak you wish
    4106 to move, 2) holding the left mouse button down, drag to the desired position
    4107 &amp; then release the button. The peak line will be drawn in the new position.
    4108 Be sure that the Zoom/Pan buttons are not selected on the Plot window.</span></span></span></span></a><span
    4109 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    4110 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4111 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
     3964</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     3965"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     3966bold'>You can move a Peak List item using the mouse on the plot by: 1) position
     3967the pointer on the blue line for the peak you wish to move, 2) holding the left
     3968mouse button down, drag to the desired position &amp; then release the button.
     3969The peak line will be drawn in the new position. Be sure that the Zoom/Pan
     3970buttons are not selected on the Plot window.<span class=MsoHyperlink><span
     3971style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    41123972
    41133973<p class=MsoListParagraphCxSpFirst style='margin-left:45.0pt;mso-add-space:
    4114 auto;text-indent:-.25in;mso-list:l11 level1 lfo14'><span style='mso-bookmark:
     3974auto;text-indent:-.25in;mso-list:l11 level1 lfo15'><span style='mso-bookmark:
    41153975Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    41163976style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    41173977none;text-underline:none'><span style='mso-list:Ignore'>4.<span
    4118 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4119 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    4120 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4121 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4122 style='mso-fareast-font-family:"Times New Roman"'>You can change individual peak
    4123 coefficient values. Enter the value then press Enter or Tab or click the mouse
    4124 elsewhere in the Peak List window. This will set the new value.</span></span></span></span></a><span
     3978style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
     3979style='mso-fareast-font-family:"Times New Roman"'>You can change individual
     3980peak coefficient values. Enter the value then press Enter or Tab or click the
     3981mouse elsewhere in the Peak List window. This will set the new value.<span
     3982class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     3983text-underline:none'><o:p></o:p></span></span></span></span></p>
     3984
     3985<p class=MsoListParagraphCxSpLast style='margin-left:45.0pt;mso-add-space:auto;
     3986text-indent:-.25in;mso-list:l11 level1 lfo15'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
     3987class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
     3988color:windowtext;text-decoration:none;text-underline:none'><span
     3989style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     3990</span></span></span></span><![endif]>You can change the refine flags either by
     3991clicking on the box or by selecting one and then selecting the column (a single
     3992click on the column heading; column should show in blue). Then type
     3993&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
    41253994style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    41263995style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    41273996none;text-underline:none'><o:p></o:p></span></span></span></p>
    41283997
    4129 <p class=MsoListParagraphCxSpLast style='margin-left:45.0pt;mso-add-space:auto;
    4130 text-indent:-.25in;mso-list:l11 level1 lfo14'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    4131 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4132 color:windowtext;text-decoration:none;text-underline:none'><span
    4133 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4134 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    4135 style='mso-bookmark:Index_Peaks'><span style='color:windowtext;text-decoration:
    4136 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>You
    4137 can change the refine flags either by clicking on the box or by selecting one
    4138 and then selecting the column (a single click on the column heading; column
    4139 should show in blue). Then type &#8216;y&#8217; to set the refine flags or
    4140 &#8216;n&#8217; to clear the flags. </span></span></span></a><span
    4141 style='mso-bookmark:Index_Peaks'><span class=MsoHyperlink><span
    4142 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4143 none;text-underline:none'><o:p></o:p></span></span></span></p>
    4144 
    4145 <h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo14'><span
     3998<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo15'><span
    41463999style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    41474000style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    41484001normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    41494002style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4150 </span></span></span></span><![endif]></span><a href="#Covariance"><span
    4151 style='mso-bookmark:Index_Peaks'><span style='color:#4F4FFF;text-decoration:
    4152 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4153 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4154 normal;mso-bidi-font-weight:bold'>You can delete peaks in the Peak List by
    4155 selecting rows (should appear in blue) and then pressing the Delete key. You
    4156 can also delete peaks using the mouse on the plot by positioning the pointer on
    4157 the blue line for the peak to be deleted and then pressing the right mouse
    4158 button. The blue line should vanish and the corresponding peak will be removed
    4159 from the Peak List. Be sure that the Zoom/Pan buttons are not selected on the
    4160 Plot window.</span></span></span></span></a><span style='mso-bookmark:Index_Peaks'><span
    4161 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4162 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    4163 none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4164 
    4165 <h4><span style='mso-bookmark:Index_Peaks'><a name="Index_Peak_List"></a></span><a
    4166 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
    4167 style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
    4168 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
    4169 style='mso-fareast-font-family:"Times New Roman"'>Index Peak List</span></span></span></span></a><span
     4003</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     4004"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     4005bold'>You can delete peaks in the Peak List by selecting rows (should appear in
     4006blue) and then pressing the Delete key. You can also delete peaks using the
     4007mouse on the plot by positioning the pointer on the blue line for the peak to
     4008be deleted and then pressing the right mouse button. The blue line should
     4009vanish and the corresponding peak will be removed from the Peak List. Be sure
     4010that the Zoom/Pan buttons are not selected on the Plot window.<span
     4011class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4012text-underline:none'><o:p></o:p></span></span></span></span></h5>
     4013
     4014<h4><span style='mso-bookmark:Index_Peaks'><a name="Index_Peak_List"></a><span
     4015style='mso-fareast-font-family:"Times New Roman"'>Index Peak List</span></span><span
    41704016class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    41714017color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    41724018
    4173 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4174 href="#Covariance"><span style='color:windowtext;text-decoration:none;
    4175 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>This
    4176 window shows the list of peaks that will be used for indexing (see <span
    4177 style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><span
    4178 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'><u><span
    4179 style='mso-fareast-font-family:"Times New Roman";color:blue'>Unit Cells List</span></u></span></span>).
    4180 It must be filled before indexing can proceed. When indexing is completed, this
    4181 display will show the resulting hkl values for every indexed reflection along
    4182 with the calculated d-spacing (&#8216;d-calc&#8217;) for the selected unit cell
    4183 in <span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
    4184 minor-fareast'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'><u><span
    4185 style='mso-fareast-font-family:"Times New Roman";color:blue'>Unit Cells List</span></u></span></span>.</span></span></a><span
    4186 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    4187 text-underline:none'><o:p></o:p></span></span></span></p>
    4188 
    4189 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a
    4190 href="#Covariance"><span style='color:#4F4FFF;text-decoration:none;text-underline:
    4191 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'>What
    4192 can I do here?</span></span></a><span class=MsoHyperlink><span
    4193 style='color:#4F4FFF;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4194 
    4195 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l28 level1 lfo15'><![if !supportLists]><span
     4019<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4020window shows the list of peaks that will be used for indexing (see </span><a
     4021href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman";
     4022color:windowtext;text-decoration:none;text-underline:none'>Unit Cells List</span></a><span
     4023style='mso-fareast-font-family:"Times New Roman"'>). It must be filled before
     4024indexing can proceed. When indexing is completed, this display will show the
     4025resulting hkl values for every indexed reflection along with the calculated
     4026d-spacing (&#8216;d-calc&#8217;) for the selected unit cell in </span><a
     4027href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman";
     4028color:windowtext;text-decoration:none;text-underline:none'>Unit Cells List</span></a><span
     4029style='mso-fareast-font-family:"Times New Roman"'>.<span class=MsoHyperlink><span
     4030style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4031
     4032<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     4033class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     4034none'><o:p></o:p></span></span></span></h5>
     4035
     4036<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l27 level1 lfo16'><![if !supportLists]><span
    41964037class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    41974038color:windowtext;text-decoration:none;text-underline:none'><span
    41984039style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    41994040</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4200 "Times New Roman"'><a href="#Unit_Cells_List"><span style='color:windowtext;
    4201 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'>Menu
    4202 &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
    4203 style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
    4204 positions &amp; intensities from the <span style='mso-fareast-font-family:"Times New Roman";
    4205 mso-fareast-theme-font:minor-fareast'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'><u><span
    4206 style='mso-fareast-font-family:"Times New Roman";color:blue'>Peak List</span></u></span></span>
    4207 to make them available for the indexing routine. The d-obs is obtained from
    4208 Bragg&#8217;s Law after applying the Zero correction shown on the <span
    4209 style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><span
    4210 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'><u><span
    4211 style='mso-fareast-font-family:"Times New Roman";color:blue'>Instrument Parameters</span></u></span></span>
    4212 table to the position shown here.</span></span></a><span class=MsoHyperlink><span
     4041"Times New Roman"'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217;
     4042&#8211; <b style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads
     4043the peak positions &amp; intensities from the </span><a href="#Peak_List"><span
     4044style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
     4045none;text-underline:none'>Peak List</span></a><span style='mso-fareast-font-family:
     4046"Times New Roman"'> to make them available for the indexing routine. The d-obs
     4047is obtained from Bragg&#8217;s Law after applying the Zero correction shown on
     4048the </span><a href="#Instrument_Parameters"><span style='mso-fareast-font-family:
     4049"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'>Instrument
     4050Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
     4051table to the position shown here.<span class=MsoHyperlink><span
    42134052style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    42144053
    4215 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l28 level1 lfo15'><![if !supportLists]><span
     4054<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l27 level1 lfo16'><![if !supportLists]><span
    42164055class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    42174056color:windowtext;text-decoration:none;text-underline:none'><span
    42184057style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    42194058</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4220 "Times New Roman"'><a href="#Unit_Cells_List"><span style='color:windowtext;
    4221 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>You
    4222 may deselect individual peaks from indexing by unchecking the corresponding
    4223 &#8216;use&#8217; box.</span></span></a><span class=MsoHyperlink><span
     4059"Times New Roman"'>You may deselect individual peaks from indexing by
     4060unchecking the corresponding &#8216;use&#8217; box.<span class=MsoHyperlink><span
    42244061style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    42254062
    42264063<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
    4227 style='mso-bookmark:Cell_Indexing_Refine'></span><a
    4228 href="#Instrument_Parameters"><span style='mso-bookmark:Cell_Indexing_Refine'><span
     4064style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
     4065"Times New Roman"'>Unit Cells List</span></span><span class=MsoHyperlink><span
    42294066style='mso-fareast-font-family:"Times New Roman";color:#4F81BD;mso-themecolor:
    4230 accent1;text-decoration:none;text-underline:none'><span style='mso-field-code:
    4231 " HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>Unit Cells List</span></span></span></a><span
    4232 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4233 color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    4234 
    4235 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4236 href="#Instrument_Parameters"><span style='color:windowtext;text-decoration:
    4237 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>This
    4238 window shows the controls and results from indexing of the peaks in the <span
    4239 style='mso-field-code:" HYPERLINK  \\l \0022Index_Peak_List\0022 "'><u><span
    4240 style='color:blue'>Index_Peak_List</span></u></span><!--[if supportFields]><span
    4241 style='mso-element:field-begin'></span> REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4067accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
     4068
     4069<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4070window shows the controls and results from indexing of the peaks in the <a
     4071href="#Index_Peak_List"><span style='color:windowtext;text-decoration:none;
     4072text-underline:none'>Index_Peak_List</span></a></span><!--[if supportFields]><span
     4073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4074field-begin'></span> REF Index_Peak_List \h </span><![endif]--><span
     4075style='mso-fareast-font-family:"Times New Roman"'><!--[if gte mso 9]><xml>
    42424076 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4243 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4244 style='mso-element:field-begin'></span><span
    4245 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4077</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4078"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4079style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4080field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4081Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4082"Times New Roman"'><!--[if gte mso 9]><xml>
    42464083 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4247 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4248 style='mso-element:field-begin'></span><span
    4249 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4084</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4085"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4087field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4088Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4089"Times New Roman"'><!--[if gte mso 9]><xml>
    42504090 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4251 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4252 style='mso-element:field-begin'></span><span
    4253 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4091</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4092"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4093style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4094field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4095Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4096"Times New Roman"'><!--[if gte mso 9]><xml>
    42544097 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4255 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4256 style='mso-element:field-begin'></span><span
    4257 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4098</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4099"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4100style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4101field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4102Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4103"Times New Roman"'><!--[if gte mso 9]><xml>
    42584104 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4259 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4260 style='mso-element:field-begin'></span><span
    4261 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4105</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4106"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4107style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4108field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4109Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4110"Times New Roman"'><!--[if gte mso 9]><xml>
    42624111 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4263 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
    4264 style='mso-element:field-begin'></span><span
    4265 style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[if gte mso 9]><xml>
     4112</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4113"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
     4114style='mso-fareast-font-family:"Times New Roman"'><span style='mso-element:
     4115field-begin'></span><span style='mso-spacerun:yes'>&nbsp;</span>REF
     4116Index_Peak_List \h </span><![endif]--><span style='mso-fareast-font-family:
     4117"Times New Roman"'><!--[if gte mso 9]><xml>
    42664118 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
    4267 </xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]-->.
    4268 </span></span></a><span class=MsoHyperlink><span style='color:windowtext;
    4269 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    4270 
    4271 <h5><a name="Reflection_List"></a><a href="#Instrument_Parameters"><span
    4272 style='mso-bookmark:Reflection_List'><span style='color:#4F4FFF;text-decoration:
    4273 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><span
    4274 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span></span></span></span></a><span
    4275 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4276 style='mso-fareast-font-family:"Times New Roman";color:#4F4FFF;text-decoration:
    4277 none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4278 
    4279 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4119</xml><![endif]--></span><!--[if supportFields]><span style='mso-fareast-font-family:
     4120"Times New Roman"'><span style='mso-element:field-end'></span></span><![endif]--><span
     4121style='mso-fareast-font-family:"Times New Roman"'>. <span class=MsoHyperlink><span
     4122style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4123
     4124<h5><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>What
     4125can I do here?<span class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:
     4126none;text-underline:none'><o:p></o:p></span></span></span></a></h5>
     4127
     4128<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    42804129style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    42814130class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    42824131color:windowtext;text-decoration:none;text-underline:none'><span
    42834132style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4284 </span></span></span></span><![endif]></span><a href="#Index_Peak_List"><span
    4285 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4286 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
    4287 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Select
    4288 Bravais Lattices</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    4289 &#8211; the selected are tried for indexing the powder pattern. </span></span></span></span></a><span
    4290 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4291 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4292 none;text-underline:none'><o:p></o:p></span></span></span></p>
    4293 
    4294 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4133</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4134style='mso-fareast-font-family:"Times New Roman"'>Select <span class=SpellE>Bravais</span>
     4135Lattices</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4136style='mso-fareast-font-family:"Times New Roman"'> &#8211; the selected are
     4137tried for indexing the powder pattern. <span class=MsoHyperlink><span
     4138style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     4139
     4140<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    42954141style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    42964142class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    42974143color:windowtext;text-decoration:none;text-underline:none'><span
    42984144style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4299 </span></span></span></span><![endif]></span><a href="#Index_Peak_List"><span
    4300 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4301 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
    4302 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Max
    4303 Nc/Nobs </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
    4304 this controls the extent of the search for the correct indexing. This may need
    4305 to be increased if an indexing trial terminates too quickly. It rarely needs to
    4306 be changed.</span></span></span></span></a><span style='mso-bookmark:Reflection_List'><span
    4307 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4308 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    4309 
    4310 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4145</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4146style='mso-fareast-font-family:"Times New Roman"'>Max <span class=SpellE>Nc</span>/Nobs
     4147</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4148style='mso-fareast-font-family:"Times New Roman"'>&#8211; this controls the
     4149extent of the search for the correct indexing. This may need to be increased if
     4150an indexing trial terminates too quickly. It rarely needs to be changed.<span
     4151class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4152text-underline:none'><o:p></o:p></span></span></span></span></p>
     4153
     4154<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    43114155style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    43124156class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    43134157color:windowtext;text-decoration:none;text-underline:none'><span
    43144158style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4315 </span></span></span></span><![endif]></span><a href="#Index_Peak_List"><span
    4316 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4317 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
    4318 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Start
    4319 Volume </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
     4159</span></span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
     4160normal'><span style='mso-fareast-font-family:"Times New Roman"'>Start</span></b></span></span><span
     4161style='mso-bookmark:Reflection_List'><b style='mso-bidi-font-weight:normal'><span
     4162style='mso-fareast-font-family:"Times New Roman"'> Volume </span></b></span><span
     4163style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
    43204164this sets an initial unit cell volume for the indexing. It rarely needs to be
    4321 changed.</span></span></span></span></a><span style='mso-bookmark:Reflection_List'><span
    4322 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4323 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    4324 
    4325 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4165changed.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4166none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     4167
     4168<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    43264169style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    43274170class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    43284171color:windowtext;text-decoration:none;text-underline:none'><span
    43294172style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4330 </span></span></span></span><![endif]></span><a href="#Index_Peak_List"><span
    4331 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4332 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><span
    4333 style='mso-fareast-font-family:"Times New Roman"'>Menu<b style='mso-bidi-font-weight:
    4334 normal'> &#8216;Cell Index/Refine&#8217; </b>&#8211; </span></span></span></span></a><span
    4335 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4336 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4337 none;text-underline:none'><o:p></o:p></span></span></span></p>
     4173</span></span></span></span><![endif]><span style='mso-fareast-font-family:
     4174"Times New Roman"'>Menu<b style='mso-bidi-font-weight:normal'> &#8216;Cell
     4175Index/Refine&#8217; </b>&#8211; <span class=MsoHyperlink><span
     4176style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
    43384177
    43394178<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    4340 auto;text-indent:-.25in;mso-list:l17 level2 lfo16'><span style='mso-bookmark:
     4179auto;text-indent:-.25in;mso-list:l16 level2 lfo17'><span style='mso-bookmark:
    43414180Reflection_List'><![if !supportLists]><span class=MsoHyperlink><span
    43424181style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    43434182none;text-underline:none'><span style='mso-list:Ignore'>a.<span
    4344 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4345 href="#Index_Peak_List"><span style='mso-bookmark:Reflection_List'><span
    4346 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4347 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
     4183style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><b
    43484184style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Index
    4349 Cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4350 this starts the indexing process. Output will appear on the console and a
    4351 progress bar dialog will appear which tracks trial volume. A <b
    4352 style='mso-bidi-font-weight:normal'>Cancel</b> button will terminate indexing;
    4353 it may need to be pressed more than once to fully terminate the indexing
    4354 process. Console output shows possible solutions with a computed <b
    4355 style='mso-bidi-font-weight:normal'>M20</b> for each; good solutions are
    4356 indicated by high <b style='mso-bidi-font-weight:normal'>M20</b> values. <b
    4357 style='mso-bidi-font-weight:normal'>X20</b> gives number of unindexed lines out
    4358 of the 1<sup>st</sup> 20 lines and <b style='mso-bidi-font-weight:normal'>Nc</b>
    4359 gives total number of reflections generated for each solution.</span></span></span></span></a><span
    4360 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4361 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4362 none;text-underline:none'><o:p></o:p></span></span></span></p>
     4185Cell</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4186style='mso-fareast-font-family:"Times New Roman"'> &#8211; this starts the
     4187indexing process. Output will appear on the console and a progress bar dialog
     4188will appear which tracks trial volume. A <b style='mso-bidi-font-weight:normal'>Cancel</b>
     4189button will terminate indexing; it may need to be pressed more than once to
     4190fully terminate the indexing process. Console output shows possible solutions
     4191with a computed <b style='mso-bidi-font-weight:normal'>M20</b> for each; good
     4192solutions are indicated by high <b style='mso-bidi-font-weight:normal'>M20</b>
     4193values. <b style='mso-bidi-font-weight:normal'>X20</b> gives number of
     4194unindexed lines out of the 1<sup>st</sup> 20 lines and <span class=GramE><b
     4195style='mso-bidi-font-weight:normal'>Nc</b></span> gives total number of
     4196reflections generated for each solution.<span class=MsoHyperlink><span
     4197style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
    43634198
    43644199<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    4365 auto;text-indent:-.25in;mso-list:l17 level2 lfo16'><span style='mso-bookmark:
     4200auto;text-indent:-.25in;mso-list:l16 level2 lfo17'><span style='mso-bookmark:
    43664201Reflection_List'><![if !supportLists]><span class=MsoHyperlink><span
    43674202style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    43684203none;text-underline:none'><span style='mso-list:Ignore'>b.<span
    4369 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4370 href="#Index_Peak_List"><span style='mso-bookmark:Reflection_List'><span
    4371 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4372 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
     4204style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><b
    43734205style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    4374 Cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4375 this copies selected solution to the Unit cell values; attention is paid to the
    4376 Bravais lattice shown for the choice and you may select a <b style='mso-bidi-font-weight:
    4377 normal'>Space group</b> from the pull down box. Press <b style='mso-bidi-font-weight:
    4378 normal'>Show hkl positions</b> to give the allowed peaks; to confirm the
    4379 indexing compare these to peak positions and any unfitted peaks in the pattern.</span></span></span></span></a><span
    4380 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4381 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4382 none;text-underline:none'><o:p></o:p></span></span></span></p>
     4206Cell</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4207style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies selected
     4208solution to the Unit cell values; attention is paid to the Bravais lattice
     4209shown for the choice and you may select a <b style='mso-bidi-font-weight:normal'>Space
     4210group</b> from the pull down box. Press <b style='mso-bidi-font-weight:normal'>Show
     4211hkl positions</b> to give the allowed peaks; to confirm the indexing compare
     4212these to peak positions and any unfitted peaks in the pattern.<span
     4213class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4214text-underline:none'><o:p></o:p></span></span></span></span></p>
    43834215
    43844216<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    4385 auto;text-indent:-.25in;mso-list:l17 level2 lfo16'><span style='mso-bookmark:
     4217auto;text-indent:-.25in;mso-list:l16 level2 lfo17'><span style='mso-bookmark:
    43864218Reflection_List'><![if !supportLists]><span class=MsoHyperlink><span
    43874219style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    43884220none;text-underline:none'><span style='mso-list:Ignore'>c.<span
    4389 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4390 href="#Index_Peak_List"><span style='mso-bookmark:Reflection_List'><span
    4391 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4392 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
     4221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><b
    43934222style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
    4394 cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4395 this refines the copied lattice parameters and optionally the <b
    4396 style='mso-bidi-font-weight:normal'>Zero offset. </b>The results will be placed
    4397 in the <b style='mso-bidi-font-weight:normal'>Indexing Result</b> table with
    4398 &#8216;<b style='mso-bidi-font-weight:normal'>use&#8217;</b> selected.</span></span></span></span></a><span
    4399 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4400 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4401 none;text-underline:none'><o:p></o:p></span></span></span></p>
     4223cell</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4224style='mso-fareast-font-family:"Times New Roman"'> &#8211; this refines the
     4225copied lattice parameters and optionally the <b style='mso-bidi-font-weight:
     4226normal'>Zero offset. </b>The results will be placed in the <b style='mso-bidi-font-weight:
     4227normal'>Indexing Result</b> table with &#8216;<b style='mso-bidi-font-weight:
     4228normal'>use&#8217;</b> selected.<span class=MsoHyperlink><span
     4229style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
    44024230
    44034231<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    4404 auto;text-indent:-.25in;mso-list:l17 level2 lfo16'><span style='mso-bookmark:
     4232auto;text-indent:-.25in;mso-list:l16 level2 lfo17'><span style='mso-bookmark:
    44054233Reflection_List'><![if !supportLists]><span class=MsoHyperlink><span
    44064234style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    44074235none;text-underline:none'><span style='mso-list:Ignore'>d.<span
    4408 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]></span><a
    4409 href="#Index_Peak_List"><span style='mso-bookmark:Reflection_List'><span
    4410 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4411 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Index_Peak_List\0022 "'><b
     4236style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><b
    44124237style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Make
    4413 new phase</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    4414 &#8211; this creates a new phase from the selected unit cell and chosen space group.
    4415 A dialog box will appear asking for a name for this phase. See the new entry
    4416 under Phases and the new lattice parameters will be in the <span
    4417 style='mso-field-code:" HYPERLINK  \\l \0022General\0022 "'><u><span
    4418 style='color:blue'>General</span></u></span> window for that phase.</span></span></span></span></a><span
    4419 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4420 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4421 none;text-underline:none'><o:p></o:p></span></span></span></p>
    4422 
    4423 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4238new phase</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4239style='mso-fareast-font-family:"Times New Roman"'> &#8211; this creates a new
     4240phase from the selected unit cell and chosen space group. A dialog box will
     4241appear asking for a name for this phase. See the new entry under Phases and the
     4242new lattice parameters will be in the </span></span><a href="#General"><span
     4243style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
     4244color:windowtext;text-decoration:none;text-underline:none'>General</span></span></a><span
     4245style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman"'>
     4246window for that phase.<span class=MsoHyperlink><span style='color:windowtext;
     4247text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     4248
     4249<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    44244250style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    44254251class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    44264252color:windowtext;text-decoration:none;text-underline:none'><span
    44274253style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4428 </span></span></span></span><![endif]></span><a href="#Index_Peak_List"><span
    4429 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4430 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'><b
    4431 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Select
    4432 another solution &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>the
    4433 plot will show (red dashed lines) the<b style='mso-bidi-font-weight:normal'> </b>generated
    4434 reflection positions for the choice; compare them to the peak positions (blue
    4435 lines) and any unfitted peaks for conformation.</span></span></span></span></a><span
    4436 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4437 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4438 none;text-underline:none'><o:p></o:p></span></span></span></p>
    4439 
    4440 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo16'><span
     4254</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4255style='mso-fareast-font-family:"Times New Roman"'>Select another solution
     4256&#8211; </span></b></span><span style='mso-bookmark:Reflection_List'><span
     4257style='mso-fareast-font-family:"Times New Roman"'>the plot will show (red
     4258dashed lines) the<b style='mso-bidi-font-weight:normal'> </b>generated reflection
     4259positions for the choice; compare them to the peak positions (blue lines) and
     4260any unfitted peaks for conformation.<span class=MsoHyperlink><span
     4261style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     4262
     4263<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l16 level1 lfo17'><span
    44414264style='mso-bookmark:Reflection_List'><![if !supportLists]><span
    44424265class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    44434266color:windowtext;text-decoration:none;text-underline:none'><span
    44444267style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4445 </span></span></span></span><![endif]></span><a href="#General"><span
    4446 style='mso-bookmark:Reflection_List'><span style='color:windowtext;text-decoration:
    4447 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'><b
    4448 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Select
    4449 &#8216;keep&#8217; &#8211;</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    4450 this preserves this solution for a subsequent indexing run; otherwise all
    4451 solutions are erased before the indexing trial begins.</span></span></span></span></a><span
    4452 style='mso-bookmark:Reflection_List'><span class=MsoHyperlink><span
    4453 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
     4268</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
     4269style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;keep&#8217;
     4270&#8211;</span></b></span><span style='mso-bookmark:Reflection_List'><span
     4271style='mso-fareast-font-family:"Times New Roman"'> this preserves this solution
     4272for a subsequent indexing run; otherwise all solutions are erased before the
     4273indexing trial begins.<span class=MsoHyperlink><span style='color:windowtext;
     4274text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
     4275
     4276<h4><span style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:
     4277"Times New Roman"'>Reflection List</span></span><span class=MsoHyperlink><span
     4278style='mso-fareast-font-family:"Times New Roman";color:#4F81BD;mso-themecolor:
     4279accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
     4280
     4281<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4282window shows the reflections for the selected phase found in this powder data
     4283set. It is generated by a <span class=SpellE>Rietveld</span> or Pawley
     4284refinement. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
    44544285none;text-underline:none'><o:p></o:p></span></span></span></p>
    44554286
    4456 <h4><span style='mso-bookmark:Reflection_List'></span><a href="#General"><span
    4457 style='mso-bookmark:Reflection_List'><span style='color:#4F81BD;mso-themecolor:
    4458 accent1;text-decoration:none;text-underline:none'><span style='mso-field-code:
    4459 " HYPERLINK \0022\0022 \\l \0022General\0022 "'><span style='mso-fareast-font-family:
    4460 "Times New Roman"'>Reflection List</span></span></span></span></a><span
    4461 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4462 color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    4463 
    4464 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4465 href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
    4466 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>This
    4467 window shows the reflections for the selected phase found in this powder data
    4468 set. It is generated by a Rietveld or Pawley refinement. </span></span></a><span
    4469 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    4470 text-underline:none'><o:p></o:p></span></span></span></p>
    4471 
    4472 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
    4473 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4474 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>What can
    4475 I do here?</span></span></a><span class=MsoHyperlink><span style='color:#4F4FFF;
    4476 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4477 
    4478 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo17'><![if !supportLists]><span
     4287<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     4288class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     4289none'><o:p></o:p></span></span></span></h5>
     4290
     4291<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo18'><![if !supportLists]><span
    44794292class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    44804293color:windowtext;text-decoration:none;text-underline:none'><span
    44814294style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    44824295</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4483 "Times New Roman"'><a href="#General"><span style='color:windowtext;text-decoration:
    4484 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Menu<b
    4485 style='mso-bidi-font-weight:normal'> &#8216;Reflection List&#8217; </b>&#8211; </span></span></a><span
    4486 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    4487 text-underline:none'><o:p></o:p></span></span></span></p>
     4296"Times New Roman"'>Menu<b style='mso-bidi-font-weight:normal'>
     4297&#8216;Reflection List&#8217; </b>&#8211; <span class=MsoHyperlink><span
     4298style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    44884299
    44894300<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
    4490 text-indent:-.25in;mso-list:l21 level2 lfo17'><![if !supportLists]><span
     4301text-indent:-.25in;mso-list:l20 level2 lfo18'><![if !supportLists]><span
    44914302class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    44924303color:windowtext;text-decoration:none;text-underline:none'><span
    44934304style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    44944305</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4495 "Times New Roman"'><a href="#General"><span style='color:windowtext;text-decoration:
    4496 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Select
    4497 phase &#8211; if there is more than one phase; you can select another phase;
    4498 the window title will show which phase is shown. </span></span></a><span
     4306"Times New Roman"'>Select phase &#8211; if there is more than one phase; you
     4307can select another phase; the window title will show which phase is shown. <span
    44994308class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    45004309text-underline:none'><o:p></o:p></span></span></span></p>
    45014310
    4502 <h3><a href="#General"><span style='color:windowtext;text-decoration:none;
    4503 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Single
    4504 Crystal Histograms &#8211; HKLF</span></span></a></h3>
     4311<h3>Single Crystal Histograms &#8211; HKLF</h3>
    45054312
    45064313<h4>Instrument Parameters</h4>
     
    45144321on the plot. If available a green ring is shown for F-observed, a blue ring for
    45154322F-calculated and a central disk for <span style='font-family:"Calibri","sans-serif"'>&#916;</span>F
    4516 (green for <span class=SpellE><span class=GramE>Fo</span></span><span
    4517 class=GramE>&gt;</span>Fc and red for <span class=SpellE>Fo</span>&lt;Fc).</p>
    4518 
    4519 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
    4520 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4521 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>What can
    4522 I do here?</span></span></a><o:p></o:p></span></h5>
    4523 
    4524 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo31'><![if !supportLists]><span
     4323(green for <span class=GramE>Fo&gt;</span>Fc and red for Fo&lt;Fc).</p>
     4324
     4325<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     4326
     4327<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo19'><![if !supportLists]><span
    45254328style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    45264329style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    45274330style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
    4528 the scale</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4529 move the slider, the rings will change their radius accordingly.<o:p></o:p></span></p>
    4530 
    4531 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo31'><![if !supportLists]><span
     4331the scale</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4332&#8211; move the slider, the rings will change their radius accordingly.<o:p></o:p></span></p>
     4333
     4334<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo19'><![if !supportLists]><span
    45324335style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    45334336style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    45344337style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Select
    4535 the zone</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4536 select between 100, 010 or 001; plot axes will be labeled accordingly.<o:p></o:p></span></p>
    4537 
    4538 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo31'><![if !supportLists]><span
     4338the zone</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4339&#8211; select between 100, 010 or 001; plot axes will be labeled accordingly.<o:p></o:p></span></p>
     4340
     4341<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo19'><![if !supportLists]><span
    45394342style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    45404343style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    45414344style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Select
    4542 plot type</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
    4543 the choices are either F or F<sup>2</sup>, </span><span style='font-family:
    4544 "Calibri","sans-serif";mso-fareast-font-family:"Times New Roman"'>&#916;</span><span
     4345plot type</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4346&#8211; the choices are either F or F<sup>2</sup>, </span><span
     4347style='font-family:"Calibri","sans-serif";mso-fareast-font-family:"Times New Roman"'>&#916;</span><span
    45454348style='mso-fareast-font-family:"Times New Roman"'>F<sup>2</sup>/</span><span
    45464349class=GramE><span style='font-family:"Calibri","sans-serif";mso-fareast-font-family:
     
    45574360style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
    45584361
    4559 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo31'><![if !supportLists]><span
     4362<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo19'><![if !supportLists]><span
    45604363style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    45614364style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    45644367move the slider for upper layers for the selected zone.<o:p></o:p></span></p>
    45654368
    4566 <h4><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
    4567 style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
    4568 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Reflection
    4569 List</span></span></a><span class=MsoHyperlink><span style='color:#4F81BD;
    4570 mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h4>
    4571 
    4572 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4573 href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
    4574 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>This
    4575 window shows the reflections for this single crystal data set. </span></span></a><span
     4369<h4><span style='mso-fareast-font-family:"Times New Roman"'>Reflection List</span><span
     4370class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1;
     4371text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
     4372
     4373<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4374window shows the reflections for this single crystal data set. <span
    45764375class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    45774376text-underline:none'><o:p></o:p></span></span></span></p>
    45784377
    4579 <h3><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
    4580 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4581 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Pair Distribution
    4582 Functions - PDF</span></span></a></span><span class=MsoHyperlink><span
    4583 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h3>
    4584 
    4585 <h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'><a
    4586 href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;text-decoration:
    4587 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>PDF
    4588 Controls</span></span></a><span class=MsoHyperlink><span style='color:#4F81BD;
    4589 mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h4>
    4590 
    4591 <p class=MsoNormal><a href="#General"><span style='color:windowtext;text-decoration:
    4592 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>This
    4593 window </span></span></a></p>
    4594 
    4595 <h4><a name="I_Q"></a><span style='mso-fareast-font-family:"Times New Roman"'><a
    4596 href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;text-decoration:
    4597 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>I(Q),
    4598 <span style='mso-bookmark:S_Q'></span>S(Q), <span style='mso-bookmark:F_Q'></span>F(Q)
    4599 &amp; <span style='mso-bookmark:G_R'></span>G(R)</span></span></a><![if !supportNestedAnchors]><a
    4600 name="G_R"></a><a name="F_Q"></a><a name="S_Q"></a><![endif]><span
     4378<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
     4379Functions - PDF</span><span class=MsoHyperlink><span style='color:windowtext;
     4380text-decoration:none;text-underline:none'><o:p></o:p></span></span></h3>
     4381
     4382<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
     4383Controls<span class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:
     4384accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h4>
     4385
     4386<p class=MsoNormal>This window </p>
     4387
     4388<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
     4389"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
     4390<a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) &amp; <a name="G_R"></a>G(R)<span
    46014391class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1;
    46024392text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h4>
    46034393
    4604 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4605 href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
    4606 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>This
    4607 window... </span></span></a><span class=MsoHyperlink><span style='color:windowtext;
     4394<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4395window... <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4396none;text-underline:none'><o:p></o:p></span></span></span></p>
     4397
     4398<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
     4399IMG<span class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4400text-underline:none'><o:p></o:p></span></span></span></h3>
     4401
     4402<h4><u>Comments<o:p></o:p></u></h4>
     4403
     4404<p class=MsoNormal>This window shows whatever comment lines found in a
     4405&#8220;metadata&#8221; file when the image data file was read by GSAS-II. If
     4406you are lucky, there will be useful information here (e.g. sample name, date
     4407collected, wavelength used, etc.). If not, this window will be blank. The text
     4408is read-only.</p>
     4409
     4410<h4>Image Controls<a name="Image_Controls"></a></h4>
     4411
     4412<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4413window... <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4414none;text-underline:none'><o:p></o:p></span></span></span></p>
     4415
     4416<h4>Ma<a name="Image_Masks"></a>sks</h4>
     4417
     4418<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4419window... <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4420none;text-underline:none'><o:p></o:p></span></span></span></p>
     4421
     4422<h3>Phase Windows</h3>
     4423
     4424<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
     4425a phase is selected from the <a href="#Data_tree"><span style='color:windowtext;
     4426text-decoration:none;text-underline:none'>data tree</span></a>, parameters are
     4427shown for that selected phase in a tabbed window. Clicking on each tab raises
     4428the windows listed below. Each tab is identified by the underlined phrase in
     4429the following:<span class=MsoHyperlink><span style='color:windowtext;
    46084430text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    46094431
    4610 <h3><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
    4611 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4612 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>2-D
    4613 Images &#8211; IMG</span></span></a><span class=MsoHyperlink><span
    4614 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h3>
    4615 
    4616 <h4><u>Comments<o:p></o:p></u></h4>
    4617 
    4618 <p class=MsoNormal>This window shows whatever comment lines found in a &#8220;metadata&#8221;
    4619 file when the image data file was read by GSAS-II. If you are lucky, there will
    4620 be useful information here (e.g. sample name, date collected, wavelength used,
    4621 etc.). If not, this window will be blank. The text is read-only.<o:p></o:p></p>
    4622 
    4623 <h4><a href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;
    4624 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>Image
    4625 Controls<span style='mso-bookmark:Image_Controls'></span></span></span></a><![if !supportNestedAnchors]><a
    4626 name="Image_Controls"></a><![endif]></h4>
    4627 
    4628 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4629 href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
    4630 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'>This
    4631 window... </span></span></a><span class=MsoHyperlink><span style='color:windowtext;
    4632 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    4633 
    4634 <h4><a href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;
    4635 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'><span
    4636 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022_Image_Masks\0022 "'>Ma<span
    4637 style='mso-bookmark:Image_Masks'></span>sks</span></span></span></a><![if !supportNestedAnchors]><a
    4638 name="Image_Masks"></a><![endif]></h4>
    4639 
    4640 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4641 href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
    4642 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022_Image_Masks\0022 "'>This
    4643 window... </span></span></a><span class=MsoHyperlink><span style='color:windowtext;
    4644 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    4645 
    4646 <h3><a href="#_Image_Masks"><span style='color:windowtext;text-decoration:none;
    4647 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022_Image_Masks\0022 "'>Phase
    4648 Windows</span></span></a></h3>
    4649 
    4650 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4651 href="#_Image_Masks"><span style='color:windowtext;text-decoration:none;
    4652 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022_Image_Masks\0022 "'>When
    4653 a phase is selected from the <span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'><u><span
    4654 style='color:blue'>data tree</span></u></span>, parameters are shown for that
    4655 selected phase in a tabbed window. Clicking on each tab raises the windows
    4656 listed below. Each tab is identified by the underlined phrase in the following:</span></span></a><span
     4432<h4><a name=General>General Phase Parameters</a></h4>
     4433
     4434<span style='mso-bookmark:General'></span>
     4435
     4436<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     4437gives overall parameters describing the phase such as the name, space group,
     4438the unit cell parameters and overall parameters for the atom present in the
     4439phase. It also has the controls for computing Fourier maps for this phase.<span
    46574440class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    46584441text-underline:none'><o:p></o:p></span></span></span></p>
    46594442
    4660 <h4><a name=General></a><a href="#_Image_Masks"><span style='mso-bookmark:General'><span
    4661 style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
    4662 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'><u>General</u>
    4663 Phase Parameters</span></span></span></a><span style='mso-bookmark:General'></span></h4>
    4664 
    4665 <span style='mso-bookmark:General'></span>
    4666 
    4667 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
    4668 href="#Data_tree"><span style='color:windowtext;text-decoration:none;
    4669 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'>This
    4670 gives overall parameters describing the phase such as the name, space group,
    4671 the unit cell parameters and overall parameters for the atom present in the phase.
    4672 It also has the controls for computing Fourier maps for this phase.</span></span></a><span
    4673 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    4674 text-underline:none'><o:p></o:p></span></span></span></p>
    4675 
    4676 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><span
    4677 style='color:#4F4FFF;text-decoration:none;text-underline:none'><span
    4678 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'>What
    4679 can I do here?</span></span></a><span class=MsoHyperlink><span
    4680 style='color:#4F4FFF;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    4681 
    4682 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4443<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     4444class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     4445none'><o:p></o:p></span></span></span></h5>
     4446
     4447<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    46834448class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    46844449color:windowtext;text-decoration:none;text-underline:none'><span
    46854450style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    46864451</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4687 "Times New Roman"'><a href="#Data_tree"><span style='color:windowtext;
    4688 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'>Menu
    4689 &#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The
    4690 compute menu shows computations that are possible for this phase.</span></span></a><span
     4452"Times New Roman"'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b>
     4453&#8211; The compute menu shows computations that are possible for this phase.<span
    46914454class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    46924455text-underline:none'><o:p></o:p></span></span></span></p>
    46934456
    46944457<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4695 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4458auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    46964459class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    46974460color:windowtext;text-decoration:none;text-underline:none'><span
    46984461style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    46994462</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4700 style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><span
    4701 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4702 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'>Fourier
    4703 maps<span style='font-weight:normal'> &#8211; compute Fourier maps according to
    4704 the controls set at bottom of General page.</span></span></span></a></span></b><span
    4705 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4706 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    4707 
    4708 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4709 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4463style='mso-fareast-font-family:"Times New Roman"'>Fourier maps</span></b><span
     4464style='mso-fareast-font-family:"Times New Roman"'> &#8211; compute Fourier maps
     4465according to the controls set at bottom of General page.<span
     4466class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4467text-underline:none'><o:p></o:p></span></span></span></p>
     4468
     4469<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4470auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    47104471class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47114472color:windowtext;text-decoration:none;text-underline:none'><span
    47124473style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47134474</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4714 style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><span
    4715 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4716 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'>Search
    4717 maps <span style='font-weight:normal'>&#8211; search the computed Fourier map.
    4718 Peaks that are above &#8216;Peak cutoff&#8217; % of the maximum will be found
    4719 in this procedure; they will be printed on the console and will be shown in the
    4720 &#8216;<span style='mso-bookmark:Map_peaks'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'><u><span
    4721 style='color:blue'>Map peaks</span></u></span></span>&#8217; page. This page
    4722 will immediately be shown and the peaks will be shown on the structure drawing
    4723 for this phase as white 3-D crosses.</span></span></span></a><![if !supportNestedAnchors]><a
    4724 name="Map_peaks"></a><![endif]></span></b><span class=MsoHyperlink><span
    4725 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    4726 none;text-underline:none'><o:p></o:p></span></span></p>
    4727 
    4728 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4729 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4475style='mso-fareast-font-family:"Times New Roman"'>Search maps </span></b><span
     4476style='mso-fareast-font-family:"Times New Roman"'>&#8211; search the computed
     4477Fourier map. Peaks that are above &#8216;Peak cutoff&#8217; % of the maximum
     4478will be found in this procedure; they will be printed on the console and will
     4479be shown in the &#8216;<a name="Map_peaks"></a><a href="gsasII.html"><span
     4480style='mso-bookmark:Map_peaks'><span style='color:windowtext;text-decoration:
     4481none;text-underline:none'>Map peaks</span></span></a><span style='mso-bookmark:
     4482Map_peaks'></span>&#8217; page. This page will immediately be shown and the
     4483peaks will be shown on the structure drawing for this phase as white 3-D
     4484crosses.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4485none;text-underline:none'><o:p></o:p></span></span></span></p>
     4486
     4487<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4488auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    47304489class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47314490color:windowtext;text-decoration:none;text-underline:none'><span
    47324491style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47334492</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4734 style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><span
    4735 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4736 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Charge flipping <span
    4737 style='font-weight:normal'>&#8211; This performs a charge flipping <i
    4738 style='mso-bidi-font-style:normal'>ab initio</i> structure solution using the
    4739 method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141, 2004). You will need
    4740 to select a source for the reflection set and perhaps select an element for
    4741 normalization by its form factor, a resolution limit (usually 0.5A) and a charge
    4742 flip threshold (usually 0.1); these are found at the bottom of the </span>General<span
    4743 style='font-weight:normal'> window. A progress bar showing the charge flip
    4744 residual is shown while the charge flip is in operation. When the residual is
    4745 no longer decreasing (be patient &#8211; it doesn&#8217;t necessarily fall
    4746 continuously), press the </span>Cancel<span style='font-weight:normal'> button
    4747 to stop the charge flipping. The resulting map will be positioned to properly
    4748 place symmetry operators (NB: depends on the quality of the resulting phases),
    4749 searched for peaks and the display shifts to </span>Map peaks<span
    4750 style='font-weight:normal'> to show them.</span></span></span></a></span></b><span
    4751 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4752 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    4753 
    4754 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4755 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4493style='mso-fareast-font-family:"Times New Roman"'>Charge flipping </span></b><span
     4494style='mso-fareast-font-family:"Times New Roman"'>&#8211; This performs a
     4495charge flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure
     4496solution using the method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141,
     44972004). You will need to select a source for the reflection set and perhaps
     4498select an element for normalization by its form factor, a resolution limit
     4499(usually 0.5A) and a charge flip threshold (usually 0.1); these are found at
     4500the bottom of the <b style='mso-bidi-font-weight:normal'>General</b> window. A
     4501progress bar showing the charge flip residual is shown while the charge flip is
     4502in operation. When the residual is no longer decreasing (be patient &#8211; it
     4503doesn&#8217;t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
     4504normal'>Cancel</b> button to stop the charge flipping. The resulting map will
     4505be positioned to properly place symmetry operators (NB: depends on the quality
     4506of the resulting phases), searched for peaks and the display shifts to <b
     4507style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<span
     4508class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4509text-underline:none'><o:p></o:p></span></span></span></p>
     4510
     4511<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4512auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    47564513class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47574514color:windowtext;text-decoration:none;text-underline:none'><span
    47584515style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47594516</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4760 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4761 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4762 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Clear map <span
    4763 style='font-weight:normal'>&#8211; This clears any Fourier/charge flip map from
    4764 memory; the Fourier map controls are also cleared.</span></span></span></a></span></b><span
    4765 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4766 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    4767 
    4768 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4517style='mso-fareast-font-family:"Times New Roman"'>Clear map </span></b><span
     4518style='mso-fareast-font-family:"Times New Roman"'>&#8211; This clears any
     4519Fourier/charge flip map from memory; the Fourier map controls are also cleared.<span
     4520class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4521text-underline:none'><o:p></o:p></span></span></span></p>
     4522
     4523<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    47694524class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47704525color:windowtext;text-decoration:none;text-underline:none'><span
    47714526style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47724527</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4773 "Times New Roman"'><a href="gsasII.html"><span style='color:windowtext;
    4774 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>The
    4775 items in the upper part of the General page that can be changed are Phase name,
    4776 Phase type, Space group, unit cell parameters &amp; refine flag. These are
    4777 described in turn:</span></span></a><span class=MsoHyperlink><span
     4528"Times New Roman"'>The items in the upper part of the General page that can be
     4529changed are Phase name, Phase type, Space group, unit cell parameters &amp;
     4530refine flag. These are described in turn:<span class=MsoHyperlink><span
    47784531style='color:windowtext'><o:p></o:p></span></span></span></p>
    47794532
    47804533<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4781 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4534auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    47824535class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47834536color:windowtext;text-decoration:none;text-underline:none'><span
    47844537style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47854538</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4786 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4787 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4788 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Phase name<span
    4789 style='font-weight:normal'> &#8211; this is the name assigned to this phase. It
    4790 should only be changed when the phase is initialized or imported.</span></span></span></a></span></b><span
    4791 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4792 color:windowtext'><o:p></o:p></span></span></p>
    4793 
    4794 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4795 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4539style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
     4540style='mso-fareast-font-family:"Times New Roman"'> &#8211; this is the name
     4541assigned to this phase. It should only be changed when the phase is initialized
     4542or imported.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     4543
     4544<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4545auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    47964546class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    47974547color:windowtext;text-decoration:none;text-underline:none'><span
    47984548style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    47994549</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4800 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4801 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4802 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Phase type &#8211; <span
    4803 style='font-weight:normal'>this can only be set when there are no atoms in the
    4804 Atoms page for this phase. Select it when the phase is initialized.</span></span></span></a></span></b><span
    4805 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4806 color:windowtext'><o:p></o:p></span></span></p>
    4807 
    4808 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4809 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4550style='mso-fareast-font-family:"Times New Roman"'>Phase type &#8211; </span></b><span
     4551style='mso-fareast-font-family:"Times New Roman"'>this can only be set when
     4552there are no atoms in the Atoms page for this phase. Select it when the phase
     4553is initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     4554
     4555<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4556auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    48104557class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    48114558color:windowtext;text-decoration:none;text-underline:none'><span
    48124559style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    48134560</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4814 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4815 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4816 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Space group<span
    4817 style='font-weight:normal'> &#8211; this should be set when the phase is
    4818 initialized; it can be changed later. Be careful about the impact on Atom site
    4819 symmetry and multiplicity if you do. GSAS-II will recognize any legal space
    4820 group symbol using the short Hermann-Mauguin forms; put a space between the
    4821 axial fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space
    4822 groups with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
    4823 setting where the center of inversion is located at the origin. The choice of
    4824 space group will set the available unit cell parameters.</span></span></span></a></span></b><span
    4825 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4826 color:windowtext'><o:p></o:p></span></span></p>
    4827 
    4828 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4829 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4561style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
     4562style='mso-fareast-font-family:"Times New Roman"'> &#8211; this should be set
     4563when the phase is initialized; it can be changed later. Be careful about the
     4564impact on Atom site symmetry and multiplicity if you do. GSAS-II will recognize
     4565any legal space group symbol using the short Hermann-Mauguin forms; put a space
     4566between the axial fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;).
     4567For space groups with a choice of origin (e.g. F d 3 m), GSAS-II always uses
     4568the 2<sup>nd</sup> setting where the center of inversion is located at the
     4569origin. The choice of space group will set the available unit cell parameters.<span
     4570class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     4571
     4572<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4573auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    48304574style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    48314575style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    4832 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
    4833 href="gsasII.html"><span style='color:windowtext;text-decoration:none;
    4834 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Refine
    4835 unit cell<span style='font-weight:normal'> &#8211; set this flag to refine the unit
    4836 cell parameters in a Rietveld or Pawley refinement. The actual parameters
    4837 refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>) in the
    4838 expression</span><i style='mso-bidi-font-style:normal'><span style='font-family:
    4839 "Cambria Math","serif";font-weight:normal'><br>
    4840 </span></i></span></span></a></span></b><!--[if gte msEquation 12]><m:oMath><m:sSup><m:sSupPr><span
    4841    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4842    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4843    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    4844    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4845    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
    4846    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4847    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
    4848  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4849  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
    4850    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4851    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4852    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4853    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4854    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4855    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4856    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
    4857    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4858    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4859    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    4860    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4861    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
    4862    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4863    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
    4864  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4865  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
    4866    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4867    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4868    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4869    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4870    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4871    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4872    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
    4873    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4874    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4875    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    4876    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4877    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
    4878    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4879    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
    4880  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4881  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
    4882    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4883    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4884    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4885    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4886    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4887    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4888    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
    4889    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4890    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4891    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    4892    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4893    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
    4894    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4895    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
    4896  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4897  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
    4898    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4899    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4900    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4901    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4902    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4903    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4904    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
    4905  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4906  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
    4907    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4908    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4909    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4910    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4911    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4912    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4913    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
    4914  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4915  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
    4916    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    4917    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
    4918    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
    4919    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4920    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
    4921    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
    4922    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
    4923  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    4924  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span
     4576style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
     4577unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4578&#8211; set this flag to refine the unit cell parameters in a Rietveld or
     4579Pawley refinement. The actual parameters refined are the symmetry allowed terms
     4580(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
     4581normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4582"Times New Roman"'><br>
     4583</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
     4584    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4585    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4586    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
     4587    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4588    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
     4589    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4590    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
     4591  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4592  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
     4593    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4594    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4595    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4596    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4597    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4598    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4599    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
     4600    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4601    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4602    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
     4603    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4604    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
     4605    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4606    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
     4607  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4608  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     4609    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4610    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4611    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4612    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4613    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4614    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4615    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
     4616    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4617    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4618    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
     4619    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4620    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
     4621    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4622    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
     4623  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4624  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     4625    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4626    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4627    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4628    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4629    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4630    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4631    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
     4632    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4633    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4634    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
     4635    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4636    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
     4637    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4638    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
     4639  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4640  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     4641    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4642    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4643    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4644    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4645    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4646    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4647    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
     4648  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4649  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     4650    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4651    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4652    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4653    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4654    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4655    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4656    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
     4657  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4658  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     4659    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     4660    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     4661    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
     4662    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4663    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
     4664    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     4665    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
     4666  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4667  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
    49254668style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
    4926 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
    4927 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
    4928 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
    4929  type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
     4669"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
     4670mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     4671 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
    49304672 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
    49314673</v:shape><![endif]--><![if !vml]><img width=335 height=19
     
    49334675
    49344676<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4935 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4677auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    49364678class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    49374679color:windowtext;text-decoration:none;text-underline:none'><span
    49384680style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4939 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4940 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4941 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4942 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>a, b, c, alpha,
    4943 beta, gamma<span style='font-weight:normal'> &#8211; lattice parameters; only
    4944 those permitted by the space group are shown. The volume<span
    4945 style='mso-spacerun:yes'>&nbsp; </span>is computed from the values entered.</span></span></span></a></span></b><span
    4946 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></p>
    4947 
    4948 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4681</span></span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
     4682normal'><span style='mso-fareast-font-family:"Times New Roman"'>a</span></b></span><b
     4683style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,
     4684b, c, alpha, beta, gamma</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4685&#8211; lattice parameters; only those permitted by the space group are shown.
     4686The <span class=GramE>volume<span style='mso-spacerun:yes'>&nbsp; </span>is</span>
     4687computed from the values entered.</span><span class=MsoHyperlink><span
     4688style='color:windowtext'><o:p></o:p></span></span></p>
     4689
     4690<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    49494691class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    49504692color:windowtext;text-decoration:none;text-underline:none'><span
    49514693style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    49524694</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4953 "Times New Roman"'><a href="gsasII.html"><span style='color:windowtext;
    4954 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>If
    4955 there are entries in the Atoms page then the Elements table is shown next on
    4956 the General page; you may select the isotope (only relevant for neutron
    4957 diffraction experiments). The density (just above the Elements) is computed
    4958 depending on this choice, the unit cell volume and the atom fractions/site
    4959 multiplicities in the entries on the Atoms page.</span></span></a><span
     4695"Times New Roman"'>If there are entries in the Atoms page then the Elements
     4696table is shown next on the General page; you may select the isotope (only
     4697relevant for neutron diffraction experiments). The density (just above the
     4698Elements) is computed depending on this choice, the unit cell volume and the
     4699atom fractions/site multiplicities in the entries on the Atoms page.<span
    49604700class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    49614701
    4962 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4702<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    49634703class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    49644704color:windowtext;text-decoration:none;text-underline:none'><span
    49654705style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    49664706</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4967 "Times New Roman"'><a href="gsasII.html"><span style='color:windowtext;
    4968 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Next
    4969 are the Pawley controls.</span></span></a><span class=MsoHyperlink><span
     4707"Times New Roman"'>Next are the Pawley controls.<span class=MsoHyperlink><span
    49704708style='color:windowtext'><o:p></o:p></span></span></span></p>
    49714709
    49724710<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4973 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4711auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    49744712class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    49754713color:windowtext;text-decoration:none;text-underline:none'><span
    49764714style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    49774715</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4978 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4979 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4980 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Do Pawley
    4981 refinement?<span style='font-weight:normal'> &#8211; This must be chosen to
    4982 perform a Pawley refinement as opposed to a Rietveld refinement for this phase.
    4983 </span>NB:<span style='font-weight:normal'> you probably should clear the </span>Histogram
    4984 scale factor<span style='font-weight:normal'> refinement flag (found in </span>Sample
    4985 parameters<span style='font-weight:normal'> for the powder data set) as it
    4986 cannot be refined simultaneously with the Pawley reflection intensities.</span></span></span></a></span></b><span
    4987 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    4988 color:windowtext'><o:p></o:p></span></span></p>
    4989 
    4990 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    4991 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4716style='mso-fareast-font-family:"Times New Roman"'>Do Pawley refinement?</span></b><span
     4717style='mso-fareast-font-family:"Times New Roman"'> &#8211; This must be chosen
     4718to perform a Pawley refinement as opposed to a Rietveld refinement for this
     4719phase. <b style='mso-bidi-font-weight:normal'>NB:</b> you probably should clear
     4720the <b style='mso-bidi-font-weight:normal'>Histogram scale factor</b>
     4721refinement flag (found in <b style='mso-bidi-font-weight:normal'>Sample
     4722parameters</b> for the powder data set) as it cannot be refined simultaneously
     4723with the Pawley reflection intensities.<span class=MsoHyperlink><span
     4724style='color:windowtext'><o:p></o:p></span></span></span></p>
     4725
     4726<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4727auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    49924728class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    49934729color:windowtext;text-decoration:none;text-underline:none'><span
    49944730style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    49954731</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    4996 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    4997 style='color:windowtext;text-decoration:none;text-underline:none'><span
    4998 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Pawley dmin<span
    4999 style='font-weight:normal'> &#8211; This is the minimum d-spacing to be used in
    5000 a Pawley refinement. </span>NB:<span style='font-weight:normal'> be sure to set
    5001 this to match the minimum d-spacing indicated by the powder pattern limits (see
    5002 </span>Limits<span style='font-weight:normal'> for the powder data set).</span></span></span></a></span></b><span
    5003 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5004 color:windowtext'><o:p></o:p></span></span></p>
    5005 
    5006 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5007 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4732style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmin</span></span></b><span
     4733style='mso-fareast-font-family:"Times New Roman"'> &#8211; This is the minimum
     4734d-spacing to be used in a Pawley refinement. <b style='mso-bidi-font-weight:
     4735normal'>NB:</b> be sure to set this to match the minimum d-spacing indicated by
     4736the powder pattern limits (see <b style='mso-bidi-font-weight:normal'>Limits</b>
     4737for the powder data set).<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
     4738
     4739<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4740auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    50084741class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50094742color:windowtext;text-decoration:none;text-underline:none'><span
    50104743style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50114744</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5012 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    5013 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5014 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Pawley neg. wt.<span
    5015 style='font-weight:normal'> &#8211; This is the weight for a penalty function
    5016 applied during a Pawley refinement on resulting negative intensities. Use with
    5017 caution; initially try very small values (e.g. .01). A value of zero means no
    5018 penalty is applied.</span></span></span></a></span></b><span
    5019 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5020 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5021 
    5022 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4745style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
     4746style='mso-fareast-font-family:"Times New Roman"'> &#8211; This is the weight
     4747for a penalty function applied during a Pawley refinement on resulting negative
     4748intensities. Use with caution; initially try very small values (e.g. .01). A
     4749value of zero means no penalty is applied.<span class=MsoHyperlink><span
     4750style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4751
     4752<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    50234753class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50244754color:windowtext;text-decoration:none;text-underline:none'><span
    50254755style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50264756</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5027 "Times New Roman"'><a href="gsasII.html"><span style='color:windowtext;
    5028 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Fourier
    5029 map controls are shown next on the General page. A completed Rietveld or Pawley
    5030 refinement is required before a Fourier map can be computed. Select the desired
    5031 type of map, the source of the reflection set and the map resolution desired.
    5032 The peak cutoff is defined as a percentage of the maximum and defines the
    5033 lowest level considered in the peak search.</span></span></a><span
     4757"Times New Roman"'>Fourier map controls are shown next on the General page. A
     4758completed Rietveld or Pawley refinement is required before a Fourier map can be
     4759computed. Select the desired type of map, the source of the reflection set and
     4760the map resolution desired. The peak cutoff is defined as a percentage of the
     4761maximum and defines the lowest level considered in the peak search.<span
    50344762class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
    50354763
    5036 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4764<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    50374765class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50384766color:windowtext;text-decoration:none;text-underline:none'><span
    50394767style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50404768</span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5041 "Times New Roman"'><a href="gsasII.html"><span style='color:windowtext;
    5042 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Charge
    5043 flip controls are below the Fourier map controls.</span></span></a><span
     4769"Times New Roman"'>Charge flip controls are below the Fourier map controls.<span
    50444770class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    50454771text-underline:none'><o:p></o:p></span></span></span></p>
    50464772
    50474773<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5048 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4774auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    50494775class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50504776color:windowtext;text-decoration:none;text-underline:none'><span
    50514777style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50524778</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5053 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    5054 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5055 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Reflection set from<span
    5056 style='font-weight:normal'> &#8211; This is the source of structure factors to
    5057 be used in a charge flip calculation. These may be either a single crystal data
    5058 set, or structure factors extracted from a powder pattern via a Pawley
    5059 refinement or a Rietveld refinement.</span></span></span></a></span></b><span
    5060 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5061 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5062 
    5063 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5064 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4779style='mso-fareast-font-family:"Times New Roman"'>Reflection set from</span></b><span
     4780style='mso-fareast-font-family:"Times New Roman"'> &#8211; This is the source
     4781of structure factors to be used in a charge flip calculation. These may be
     4782either a single crystal data set, or structure factors extracted from a powder
     4783pattern via a Pawley refinement or a <span class=SpellE>Rietveld</span>
     4784refinement.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     4785none;text-underline:none'><o:p></o:p></span></span></span></p>
     4786
     4787<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4788auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    50654789class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50664790color:windowtext;text-decoration:none;text-underline:none'><span
    50674791style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50684792</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5069 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    5070 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5071 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Normalizing element
    5072 <span style='font-weight:normal'>&#8211; This is an element form factor chosen
    5073 to normalize the structure factors before charge flipping. </span>None<span
    5074 style='font-weight:normal'> (the default) can be selected from the lower right
    5075 of the Periodic Table display shown when this is selected.</span></span></span></a></span></b><span
    5076 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5077 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5078 
    5079 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5080 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4793style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
     4794style='mso-fareast-font-family:"Times New Roman"'>&#8211; This is an element
     4795form factor chosen to normalize the structure factors before charge flipping. <b
     4796style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
     4797the lower right of the Periodic Table display shown when this is selected.<span
     4798class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4799text-underline:none'><o:p></o:p></span></span></span></p>
     4800
     4801<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4802auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    50814803class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    50824804color:windowtext;text-decoration:none;text-underline:none'><span
    50834805style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    50844806</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5085 style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><span
    5086 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5087 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Resolution <span
    5088 style='font-weight:normal'>&#8211; This is the resolution of the charge flip
    5089 map; default is 0.5A. The set of reflections is expanded to a full sphere and
    5090 zero filled to this resolution limit; this suite of reflections is then used
    5091 for charge flipping.</span></span></span></a></span></b><span
    5092 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5093 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5094 
    5095 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5096 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4807style='mso-fareast-font-family:"Times New Roman"'>Resolution </span></b><span
     4808style='mso-fareast-font-family:"Times New Roman"'>&#8211; This is the
     4809resolution of the charge flip map; default is 0.5A. The set of reflections is
     4810expanded to a full sphere and zero filled to this resolution limit; this suite
     4811of reflections is then used for charge flipping.<span class=MsoHyperlink><span
     4812style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4813
     4814<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4815auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    50974816style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    5098 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5099 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
    5100 href="gsasII.html"><span style='color:windowtext;text-decoration:none;
    5101 text-underline:none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>k-Factor<span
    5102 style='font-weight:normal'> &#8211; This is the threshold on the density map,
    5103 all densities below this are charge flipped.</span></span></span></a></span></b><span
    5104 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    5105 
    5106 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5107 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4817style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     4818class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
     4819"Times New Roman"'>k-Factor</span></b></span><span style='mso-fareast-font-family:
     4820"Times New Roman"'> &#8211; This is the threshold on the density map, all
     4821densities below this are charge flipped.</span></p>
     4822
     4823<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4824auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51084825style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    51094826style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    51154832and larger for heavy atom ones.<o:p></o:p></span></p>
    51164833
    5117 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo18'><![if !supportLists]><span
     4834<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo20'><![if !supportLists]><span
    51184835style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    51194836style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    51234840
    51244841<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5125 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4842auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51264843style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    51274844style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5128 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
    5129 href="gsasII.html"><span style='color:windowtext;text-decoration:none;
    5130 text-underline:none'><span style='mso-field-code:"HYPERLINK \0022D\:\\\\GSASII\\\\help\\\\gsasII\.html\0022"'>Reflection
    5131 set from<span style='font-weight:normal'> &#8211; This is the source of
    5132 structure factors to be used in a charge flip calculation. These may be either
    5133 a single crystal data set, or structure factors extracted from a powder pattern
    5134 via a Pawley refinement or a Rietveld refinement.</span></span></span></a></span></b><span
    5135 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    5136 
    5137 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5138 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4845style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
     4846set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4847&#8211; This is the source of structure factors to be used in a charge flip
     4848calculation. These may be either a single crystal data set, or structure
     4849factors extracted from a powder pattern via a Pawley refinement or a <span
     4850class=SpellE>Rietveld</span> refinement.<o:p></o:p></span></p>
     4851
     4852<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4853auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51394854class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    51404855color:windowtext;text-decoration:none;text-underline:none'><span
     
    51444859style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>
    51454860</span></b><span style='mso-fareast-font-family:"Times New Roman"'>- This
    5146 restricts the set of reflections to be used in the MC/SA run.<span
     4861restricts the set of reflections to be used in the MC/SA run.</span><span
    51474862class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5148 text-underline:none'><o:p></o:p></span></span></span></p>
    5149 
    5150 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5151 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4863text-underline:none'><o:p></o:p></span></span></p>
     4864
     4865<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4866auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51524867class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    51534868color:windowtext;text-decoration:none;text-underline:none'><span
     
    51574872color:windowtext;text-decoration:none;text-underline:none'>MC/SA algorithm</span></b></span><span
    51584873class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5159 color:windowtext;text-decoration:none;text-underline:none'> &#8211; This
    5160 selects the type of jump to be used for each MC/SA trial.<o:p></o:p></span></span></p>
    5161 
    5162 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5163 auto;text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4874color:windowtext;text-decoration:none;text-underline:none'> &#8211; This selects
     4875the type of jump to be used for each MC/SA trial.<o:p></o:p></span></span></p>
     4876
     4877<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4878auto;text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51644879class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    51654880color:windowtext;text-decoration:none;text-underline:none'><span
     
    51694884color:windowtext;text-decoration:none;text-underline:none'>Annealing schedule</span></b></span><span
    51704885class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5171 color:windowtext;text-decoration:none;text-underline:none'> &#8211; This selects
    5172 the beginning MC/SA &#8220;temperature&#8221;, final &#8220;temperature&#8221;,
    5173 slope and number of trials at each step.<o:p></o:p></span></span></p>
     4886color:windowtext;text-decoration:none;text-underline:none'> &#8211; This
     4887selects the beginning MC/SA &#8220;temperature&#8221;, final
     4888&#8220;temperature&#8221;, slope and number of trials at each step.<o:p></o:p></span></span></p>
    51744889
    51754890<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    5176 text-indent:-.25in;mso-list:l1 level2 lfo18'><![if !supportLists]><span
     4891text-indent:-.25in;mso-list:l1 level2 lfo20'><![if !supportLists]><span
    51774892class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    51784893color:windowtext;text-decoration:none;text-underline:none'><span
     
    51824897color:windowtext;text-decoration:none;text-underline:none'>A-jump &amp; B-jump</span></b></span><span
    51834898class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5184 color:windowtext;text-decoration:none;text-underline:none'> &#8211; If the &#8220;<span
    5185 class=SpellE>Tremayne</span>&#8221; algorithm is chosen these determine the jump
    5186 components for each trial.<o:p></o:p></span></span></p>
    5187 
    5188 <h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'><a
    5189 href="gsasII.html"><span style='color:#4F81BD;mso-themecolor:accent1'><span
    5190 style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>Data <span
    5191 style='text-decoration:none;text-underline:none'>sets</span></span></span></a><span
    5192 class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></span></u></h4>
    5193 
    5194 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a
    5195 href="gsasII.html"><span style='color:#4F4FFF;text-decoration:none;text-underline:
    5196 none'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'>What
    5197 can I do here?<i style='mso-bidi-font-style:normal'><span style='font-family:
    5198 "Cambria Math","serif"'><br>
    5199 </span></i></span></span></a></span><span class=MsoHyperlink><span
    5200 style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
    5201 none'><o:p></o:p></span></span></h5>
    5202 
    5203 <h4><a name=Atoms></a><u><a href="gsasII.html"><span style='color:#4F81BD;
    5204 mso-themecolor:accent1'><span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'><span
    5205 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'><span
    5206 style='color:blue'>Atoms</span></span></span></span></a></u><span
    5207 class=MsoHyperlink><span style='font-size:12.0pt;font-family:"Times New Roman","serif";
    5208 mso-fareast-font-family:"Times New Roman";color:#4F4FFF;font-style:normal;
    5209 text-decoration:none;text-underline:none'><o:p></o:p></span></span></h4>
    5210 
    5211 <p class=MsoNormal><a href="gsasII.html"><span style='color:windowtext;
    5212 text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>This
    5213 is the table of parameters for the atoms in this crystal structure model. The
    5214 menu controls allow manipulation of the values, refinement flags as well as
    5215 initiate calculations of geometrical values (distances &amp; angles) among the
    5216 atoms.</span></span></a></p>
    5217 
    5218 <h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5219 target="_self"><span style='color:#4F4FFF;text-decoration:none;text-underline:
    5220 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>What
    5221 can I do here?</span></span></a><span class=MsoHyperlink><span
    5222 style='color:#4F4FFF;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></h5>
    5223 
    5224 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo19'><![if !supportLists]><span
     4899color:windowtext;text-decoration:none;text-underline:none'> &#8211; If the
     4900&#8220;Tremayne&#8221; algorithm is chosen these determine the jump components
     4901for each trial.<o:p></o:p></span></span></p>
     4902
     4903<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
     4904sets<span class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></span></u></h4>
     4905
     4906<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
     4907style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
     4908mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
     4909line-break'>
     4910<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
     4911<![endif]></span></i><span class=MsoHyperlink><span style='color:windowtext;
     4912font-weight:normal;text-decoration:none;text-underline:none'><o:p></o:p></span></span></h5>
     4913
     4914<h4><a name=Atoms></a><u>Atoms</u><span class=MsoHyperlink><span
     4915style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
     4916"Times New Roman";color:#4F4FFF;font-style:normal;text-decoration:none;
     4917text-underline:none'><o:p></o:p></span></span></h4>
     4918
     4919<p class=MsoNormal>This is the table of parameters for the atoms in this
     4920crystal structure model. The menu controls allow manipulation of the values,
     4921refinement flags as well as initiate calculations of geometrical values
     4922(distances &amp; angles) among the atoms.</p>
     4923
     4924<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     4925class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     4926none'><o:p></o:p></span></span></span></h5>
     4927
     4928<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
    52254929class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52264930color:windowtext;text-decoration:none;text-underline:none'><span
    52274931style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5228 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><a
    5229 href="#Atoms" target="_self"><span style='color:windowtext;text-decoration:
    5230 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Atom<span
    5231 style='mso-fareast-font-family:"Times New Roman"'> selection from table</span><span
    5232 style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> - These
    5233 are controlled by the mouse and the Shift/Ctrl/Alt keys:</span></span></span></a></b><span
    5234 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5235 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5236 
    5237 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5238 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     4932</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Atom</b><b
     4933style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>
     4934selection from table</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
     4935- These are controlled by the mouse and the Shift/Ctrl/Alt keys:<span
     4936class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4937text-underline:none'><o:p></o:p></span></span></span></p>
     4938
     4939<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4940auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    52394941class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52404942color:windowtext;text-decoration:none;text-underline:none'><span
    52414943style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    52424944</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5243 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5244 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5245 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Left
    5246 Mouse Button (LMB)<span style='font-weight:normal'> &#8211; on a row number
    5247 selects the atom.</span></span></span></a></span></b><span class=MsoHyperlink><span
    5248 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5249 none;text-underline:none'><o:p></o:p></span></span></p>
    5250 
    5251 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5252 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     4945style='mso-fareast-font-family:"Times New Roman"'>Left Mouse Button (LMB)</span></b><span
     4946style='mso-fareast-font-family:"Times New Roman"'> &#8211; on a row number
     4947selects the atom.<span class=MsoHyperlink><span style='color:windowtext;
     4948text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4949
     4950<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4951auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    52534952class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52544953color:windowtext;text-decoration:none;text-underline:none'><span
    52554954style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    52564955</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5257 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5258 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5259 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Shift
    5260 LMB<span style='font-weight:normal'> &#8211; on a row number selects all atoms
    5261 from last selection to the selected row (or top is none previously selected).</span></span></span></a></span></b><span
    5262 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5263 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5264 
    5265 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5266 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     4956style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
     4957style='mso-fareast-font-family:"Times New Roman"'> &#8211; on a row number
     4958selects all atoms from last selection to the selected row (or top is none
     4959previously selected).<span class=MsoHyperlink><span style='color:windowtext;
     4960text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4961
     4962<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4963auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    52674964class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52684965color:windowtext;text-decoration:none;text-underline:none'><span
    52694966style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    52704967</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5271 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5272 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5273 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Ctrl
    5274 LMB<span style='font-weight:normal'> &#8211; on a row number selects/deselects
    5275 the atom.</span></span></span></a></span></b><span class=MsoHyperlink><span
    5276 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5277 none;text-underline:none'><o:p></o:p></span></span></p>
    5278 
    5279 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5280 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     4968style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
     4969style='mso-fareast-font-family:"Times New Roman"'> &#8211; on a row number
     4970selects/deselects the atom.<span class=MsoHyperlink><span style='color:windowtext;
     4971text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     4972
     4973<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     4974auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    52814975class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52824976color:windowtext;text-decoration:none;text-underline:none'><span
    52834977style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    52844978</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5285 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5286 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5287 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Alt
    5288 LMB<span style='font-weight:normal'> &#8211; on a row number selects that atom
    5289 for moving; the status line at bottom of window will show name of atom
    5290 selected. Use </span>Alt LMB<span style='font-weight:normal'> again to select a
    5291 target row for this atom; insertion will be before this row and the table will
    5292 be updated to show the change. NB: the </span>Draw Atoms<span style='font-weight:
    5293 normal'> list is not updated by this change.</span></span></span></a></span></b><span
    5294 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5295 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5296 
    5297 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo19'><![if !supportLists]><span
     4979style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
     4980style='mso-fareast-font-family:"Times New Roman"'> &#8211; on a row number
     4981selects that atom for moving; the status line at bottom of window will show
     4982name of atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b>
     4983again to select a target row for this atom; insertion will be before this row
     4984and the table will be updated to show the change. NB: the <b style='mso-bidi-font-weight:
     4985normal'>Draw Atoms</b> list is not updated by this change.<span
     4986class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     4987text-underline:none'><o:p></o:p></span></span></span></p>
     4988
     4989<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
    52984990class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    52994991color:windowtext;text-decoration:none;text-underline:none'><span
    53004992style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5301 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><a
    5302 href="#Atoms" target="_self"><span style='color:windowtext;text-decoration:
    5303 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Double
    5304 left click a Type column heading<span style='font-weight:normal'>: a dialog box
    5305 is shown that allows you to select all atoms with that type. </span></span></span></a></b><span
    5306 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5307 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5308 
    5309 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo19'><![if !supportLists]><span
     4993</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
     4994left click a Type column heading</b>: a dialog box is shown that allows you to
     4995select all atoms with that type. <span class=MsoHyperlink><span
     4996style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
     4997none;text-underline:none'><o:p></o:p></span></span></p>
     4998
     4999<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
    53105000class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53115001color:windowtext;text-decoration:none;text-underline:none'><span
    53125002style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5313 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><a
    5314 href="#Atoms" target="_self"><span style='color:windowtext;text-decoration:
    5315 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Double
    5316 click a refine or I/A column heading<span style='mso-fareast-font-family:"Times New Roman";
    5317 font-weight:normal'>: a dialog box will be shown with choices to be applied to
    5318 every atom in the list.</span></span></span></a></b><span class=MsoHyperlink><span
    5319 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5320 none;text-underline:none'><o:p></o:p></span></span></p>
    5321 
    5322 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo19'><![if !supportLists]><span
     5003</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
     5004click a refine or I/A column heading</b><span style='mso-fareast-font-family:
     5005"Times New Roman"'>: a dialog box will be shown with choices to be applied to
     5006every atom in the list.<span class=MsoHyperlink><span style='color:windowtext;
     5007text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5008
     5009<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
    53235010class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53245011color:windowtext;text-decoration:none;text-underline:none'><span
    53255012style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    53265013</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5327 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5328 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5329 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Atom
    5330 data item editing tools<span style='font-weight:normal'> &#8211; These are
    5331 controlled by the mouse (</span>Alt<span style='font-weight:normal'> ignored, </span>Shift<span
    5332 style='font-weight:normal'> &amp; </span>Ctrl<span style='font-weight:normal'>
    5333 allow selection of multiple cells but no use is made of them). An individual
    5334 data item can be cup/pasted anywhere including from/to another document. Bad
    5335 entries are rejected. If any entry is changed, press </span>Enter<span
    5336 style='font-weight:normal'> key or select another atom entry to apply the
    5337 change.</span></span></span></a></span></b><span class=MsoHyperlink><span
    5338 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5339 none;text-underline:none'><o:p></o:p></span></span></p>
    5340 
    5341 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5342 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5014style='mso-fareast-font-family:"Times New Roman"'>Atom data item editing tools</span></b><span
     5015style='mso-fareast-font-family:"Times New Roman"'> &#8211; These are controlled
     5016by the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
     5017style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
     5018normal'>Ctrl</b> allow selection of multiple cells but no use is made of them).
     5019An individual data item can be cup/pasted anywhere including from/to another
     5020document. Bad entries are rejected. If any entry is changed, press <b
     5021style='mso-bidi-font-weight:normal'>Enter</b> key or select another atom entry
     5022to apply the change.<span class=MsoHyperlink><span style='color:windowtext;
     5023text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5024
     5025<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5026auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    53435027class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53445028color:windowtext;text-decoration:none;text-underline:none'><span
    53455029style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    53465030</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5347 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5348 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5349 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Name<span
    5350 style='font-weight:normal'> &#8211; can change to any text string. </span></span></span></a></span></b><span
    5351 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5352 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5353 
    5354 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5355 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5031style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
     5032style='mso-fareast-font-family:"Times New Roman"'> &#8211; can change to any
     5033text string. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
     5034none;text-underline:none'><o:p></o:p></span></span></span></p>
     5035
     5036<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5037auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    53565038class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53575039color:windowtext;text-decoration:none;text-underline:none'><span
    53585040style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    53595041</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5360 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5361 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5362 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Type<span
    5363 style='font-weight:normal'> &#8211; causes a popup display of the Periodic
    5364 Table of the elements; select the element/valence desired; the atom will be
    5365 renamed as well.</span></span></span></a></span></b><span class=MsoHyperlink><span
    5366 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5367 none;text-underline:none'><o:p></o:p></span></span></p>
    5368 
    5369 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5370 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5042style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
     5043style='mso-fareast-font-family:"Times New Roman"'> &#8211; causes a popup
     5044display of the Periodic Table of the elements; select the element/valence
     5045desired; the atom will be renamed as well.<span class=MsoHyperlink><span
     5046style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5047
     5048<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5049auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    53715050class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53725051color:windowtext;text-decoration:none;text-underline:none'><span
    53735052style='mso-list:Ignore'>c.<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
    5375 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5376 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5377 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>refine<span
    5378 style='font-weight:normal'> &#8211; shows a pulldown of allowed refinement flag
    5379 choices to be shown; select one (top entry is blank for no refinement).</span></span></span></a></span></b><span
    5380 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5381 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5382 
    5383 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5384 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5053</span></span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
     5054normal'><span style='mso-fareast-font-family:"Times New Roman"'>refine</span></b></span><span
     5055style='mso-fareast-font-family:"Times New Roman"'> &#8211; shows a pulldown of
     5056allowed refinement flag choices to be shown; select one (top entry is blank for
     5057no refinement).<span class=MsoHyperlink><span style='color:windowtext;
     5058text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5059
     5060<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5061auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    53855062class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    53865063color:windowtext;text-decoration:none;text-underline:none'><span
    53875064style='mso-list:Ignore'>d.<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
    5389 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5390 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5391 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>x,y,z<span
    5392 style='font-weight:normal'> &#8211; change atom coordinate. Fractions (e.g.
    5393 1/3, 1/4) are allowed.</span></span></span></a></span></b><span
    5394 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5395 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5396 
    5397 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5398 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5065</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
     5066style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>x,</span></b></span><b
     5067style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>y,z</span></b></span><span
     5068style='mso-fareast-font-family:"Times New Roman"'> &#8211; change atom
     5069coordinate. Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
     5070style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5071
     5072<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5073auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    53995074class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    54005075color:windowtext;text-decoration:none;text-underline:none'><span
    54015076style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5402 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5403 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5404 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5405 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>frac,Uiso,Uij<span
    5406 style='font-weight:normal'> &#8211; change these values; numeric entry only.</span></span></span></a></span></b><span
    5407 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5408 color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
    5409 
    5410 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5411 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5077</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
     5078style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>frac,</span></b></span><b
     5079style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Uiso,Uij</span></b></span><span
     5080style='mso-fareast-font-family:"Times New Roman"'> &#8211; change these values;
     5081numeric entry only.<span class=MsoHyperlink><span style='color:windowtext;
     5082text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
     5083
     5084<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5085auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
    54125086class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    54135087color:windowtext;text-decoration:none;text-underline:none'><span
    54145088style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    54155089</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
    5416 style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
    5417 target="_self"><span style='color:windowtext;text-decoration:none;text-underline:
    5418 none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>I/A<span
    5419 style='font-weight:normal'> &#8211; select one of </span>I<span
    5420 style='font-weight:normal'>(sotropic) or </span>A<span style='font-weight:normal'>(nisotropic);
    5421 the </span>Uiso/Uij<span style='font-weight:normal'> entries will change
    5422 appropriately. </span></span></span></a></span></b><span class=MsoHyperlink><span
    5423 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5424 none;text-underline:none'><o:p></o:p></span></span></p>
    5425 
    5426 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo19'><a
     5090style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
     5091style='mso-fareast-font-family:"Times New Roman"'> &#8211; select one of <span
     5092class=GramE><b style='mso-bidi-font-weight:normal'>I</b>(</span><span
     5093class=SpellE>sotropic</span>) or <b style='mso-bidi-font-weight:normal'>A</b>(<span
     5094class=SpellE>nisotropic</span>); the <span class=SpellE><b style='mso-bidi-font-weight:
     5095normal'>Uiso</b></span><b style='mso-bidi-font-weight:normal'>/<span
     5096class=SpellE>Uij</span></b> entries will change appropriately. <span
     5097class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
     5098text-underline:none'><o:p></o:p></span></span></span></p>
     5099
     5100<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo21'><a
    54275101name=Texture></a><a name="Draw_Options"></a><![if !supportLists]><span
    54285102style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    5429 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><a
    5430 href="#Atoms" target="_self"><span style='color:windowtext;text-decoration:
    5431 none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Menu
     5103style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     5104&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
     5105shows operations that can be performed on your selected atoms. You must select one
     5106or more atoms before using many of the menu items.</p>
     5107
     5108<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5109auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5110style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
     5111style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5112style='mso-bidi-font-weight:normal'>Append atom</b> &#8211; add an H atom
     5113(name= Unk) at 0<span class=GramE>,0,0</span> to the end of the atom table, it
     5114is also drawn as an H atom in the structure plot.</p>
     5115
     5116<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5117auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5118style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
     5119style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5120style='mso-bidi-font-weight:normal'>Append view point</b> &#8211; add an H atom
     5121(name= Unk) to the end of the atom table with coordinates matching the location
     5122of the view point, it is drawn as an H atom in the structure plot</p>
     5123
     5124<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5125auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5126style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
     5127style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5128style='mso-bidi-font-weight:normal'>Insert atom</b> &#8211; insert an H atom
     5129(name= Unk) at 0<span class=GramE>,0,0</span> before the selected atom, it is
     5130also drawn as an H atom in the structure plot.</p>
     5131
     5132<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5133auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5134style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
     5135style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5136style='mso-bidi-font-weight:normal'>Insert view point</b> &#8211; insert an H
     5137atom (name= Unk) before the selected atom with coordinates matching the
     5138location of the view point, it is also drawn as an H atom in the structure
     5139plot.</p>
     5140
     5141<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5142auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5143style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
     5144style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5145style='mso-bidi-font-weight:normal'>Delete atom</b> &#8211; selected atoms will
     5146be deleted from the atom <span class=GramE>list,</span> they should also vanish
     5147from the structure drawing.</p>
     5148
     5149<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5150auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5151style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
     5152style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5153style='mso-bidi-font-weight:normal'>Set atom refinement flags</b> &#8211; A
     5154popup dialog box appears; select refinement flags to apply to all selected
     5155atoms.</p>
     5156
     5157<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5158auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5159style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
     5160style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5161style='mso-bidi-font-weight:normal'>Modify atom parameters</b> &#8211; A popup
     5162dialog box appears with a list of atom parameter names; select one to apply to
     5163all atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename selected
     5164atoms according to position in table (e.g. Na(1) for Na atom as 1<sup>st</sup>
     5165atom in list in row &#8216;0&#8217;). <b style='mso-bidi-font-weight:normal'>Type</b>
     5166will give periodic table popup; selected element valence will be used for all selected
     5167atoms and atoms names will be changed. <b style='mso-bidi-font-weight:normal'>I/A</b>
     5168will give popup with choices to be used for all selected atoms. <b
     5169style='mso-bidi-font-weight:normal'>x,y,z</b> will give popup for shift to be
     5170applied to the parameter for all selected atoms. <span class=SpellE><b
     5171style='mso-bidi-font-weight:normal'>Uiso</b></span> and <span class=SpellE><b
     5172style='mso-bidi-font-weight:normal'>frac</b></span> will give popup for new
     5173value to be used for all selected atoms. </p>
     5174
     5175<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5176auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5177style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
     5178style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5179style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; A popup dialog
     5180box appears; select space group operator/unit cell translation to apply to the
     5181selected atoms. You can optionally force the result to be within the unit cell
     5182and optionally generate a new set of atom positions.</p>
     5183
     5184<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5185auto;text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5186style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
     5187style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5188</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Reload
     5189draw atoms</b> &#8211; </p>
     5190
     5191<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
     5192style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
     5193style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu<b
     5194style='mso-bidi-font-weight:normal'> &#8216;Compute&#8217; &#8211; </b></p>
     5195
     5196<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
     5197text-indent:-.25in;mso-list:l3 level2 lfo21'><![if !supportLists]><span
     5198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
     5199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5200style='mso-bidi-font-weight:normal'>Distances &amp; Angles &#8211; </b>compute
     5201distances and angles with esds (if possible) for selected atoms. A popup dialog
     5202box will appear with distance angle controls. NB: if atoms have been added or
     5203their type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
     5204of this dialog box before proceeding.</p>
     5205
     5206<h4><u>Draw Options</u></h4>
     5207
     5208<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     5209class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     5210none'><o:p></o:p></span></span></span></h5>
     5211
     5212<h4><a name="Draw_Atoms"></a><u>Draw Atoms<span class=MsoHyperlink><span
     5213style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></u></h4>
     5214
     5215<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
     5216rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
     5217ellipsoids &amp; sticks or polyhedra. There are two menus for this tab; Edit
     5218allows modification of the list of atoms to be rendered and Compute gives some
     5219options for geometric characterization of selected atoms.</p>
     5220
     5221<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<span
     5222class=MsoHyperlink><span style='color:#4F4FFF;text-decoration:none;text-underline:
     5223none'><o:p></o:p></span></span></span></h5>
     5224
     5225<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo22'><![if !supportLists]><span
     5226style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
     5227style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5228style='mso-bidi-font-weight:normal'>Atom Selection from table</b>: select
     5229individual atoms by a left click of the mouse when pointed at the left most
     5230column (atom numbers) of the atom display; hold down the Ctrl key to add to
     5231your selection; a previously selected atom will be deselected; hold down Shift
     5232key to select from last in list selected to current selection. A selected atom
     5233will be highlighted (in grey) and the atoms will be shown in green on the plot.
     5234Selection without the Ctrl key will clear previous selections. A double left
     5235click in the (empty) upper left box will select or deselect all atoms.</p>
     5236
     5237<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo22'><![if !supportLists]><span
     5238style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
     5239style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5240style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>: select an
     5241atom by a left click of the mouse while holding down the Shift key and pointed
     5242at the center of the displayed atom, it will turn green if successful and the
     5243corresponding entry in the table will be highlighted (in grey); any previous
     5244selections will be cleared. To add to .your selection use the right mouse
     5245button (Shift down); if a previously selection is reselected it is removed from
     5246the selection list. <b style='mso-bidi-font-weight:normal'>NB</b>: beware of
     5247atoms that are hiding behind the one you are trying to select, they may be
     5248selected inadvertently. You can rotate the structure anytime during the
     5249selection process.</p>
     5250
     5251<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo22'><![if !supportLists]><span
     5252style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
     5253style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5254style='mso-bidi-font-weight:normal'>Double left click a Name, Type and Sym Op
     5255column heading</b>: a dialog box is shown that allows you to select all atoms
     5256with that characteristic. For example, selecting the Type column will show all the
     5257atom types; your choice will then cause all those atoms to be selected.</p>
     5258
     5259<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo22'><![if !supportLists]><span
     5260style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
     5261style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     5262style='mso-bidi-font-weight:normal'>Double left click a Style, Label or Color
     5263column</b>: a dialog box is shown that allows you to select a rendering option
     5264for all the atoms. For Color a color choice dialog is displayed that covers the
     5265entire color spectrum. Choose a color by any of the means available, press the
     5266&#8220;Add to Custom Colors&#8221;, select that color in the Custom colors
     5267display and then press OK. <b style='mso-bidi-font-weight:normal'>NB</b>:
     5268selecting Color will make all atoms have the same color and for Style
     5269&#8220;blank&#8221; means the atoms aren&#8217;t rendered and thus the plot
     5270will not show any atoms or bonds!</p>
     5271
     5272<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo22'><![if !supportLists]><span
     5273style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
     5274style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
    54325275&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
    54335276shows operations that can be performed on your selected atoms. You must select
    5434 one or more atoms before using many of the menu items.</span></span></a></p>
    5435 
    5436 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5437 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5277one or more atoms before using any of the menu items.</p>
     5278
     5279<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5280auto;text-indent:-.25in;mso-list:l17 level1 lfo23'><![if !supportLists]><span
    54385281style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    54395282style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5440 style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><span
    5441 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5442 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Append
    5443 atom<span style='font-weight:normal'> &#8211; add an H atom (name= Unk) at
    5444 0,0,0 to the end of the atom table, it is also drawn as an H atom in the
    5445 structure plot.</span></span></span></a></b></p>
    5446 
    5447 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5448 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5283style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
     5284style for the selected atoms</p>
     5285
     5286<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5287auto;text-indent:-.25in;mso-list:l17 level1 lfo23'><![if !supportLists]><span
    54495288style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    54505289style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5451 style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><span
    5452 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5453 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Append
    5454 view point<span style='font-weight:normal'> &#8211; add an H atom (name= Unk)
    5455 to the end of the atom table with coordinates matching the location of the view
    5456 point, it is drawn as an H atom in the structure plot</span></span></span></a></b></p>
    5457 
    5458 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5459 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5290style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
     5291be shown as a label for each atom in selection. The choices are: none, type,
     5292name or number.</p>
     5293
     5294<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5295auto;text-indent:-.25in;mso-list:l17 level1 lfo23'><![if !supportLists]><span
    54605296style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    54615297style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5462 style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><span
    5463 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5464 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Insert
    5465 atom<span style='font-weight:normal'> &#8211; insert an H atom (name= Unk) at
    5466 0,0,0 before the selected atom, it is also drawn as an H atom in the structure
    5467 plot.</span></span></span></a></b></p>
    5468 
    5469 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5470 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5298style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
     5299the atom; a color choice dialog is displayed that covers the entire color
     5300spectrum. Choose a color by any of the means available, press the &#8220;Add to
     5301Custom Colors&#8221;, select that color in the Custom colors display and then
     5302press OK.</p>
     5303
     5304<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     5305auto;text-indent:-.25in;mso-list:l17 level1 lfo23'><![if !supportLists]><span
    54715306style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    54725307style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    5473 style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><span
    5474 style='color:windowtext;text-decoration:none;text-underline:none'><span
    5475 style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'>Insert
    5476 view point<span style='font-weight:normal'> &#8211; insert an H atom (name=
    5477 Unk) before the selected atom with coordinates matching the location of the
    5478 view point, it is also drawn as an H atom in the structure plot.</span></span></span></a></b></p>
    5479 
    5480 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5481 auto;text-indent:-.25in;mso-list:l3 level2 lfo19'><![if !supportLists]><span
     5308style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
     5309atom color back to their defaults for the selected atoms.</p>
     5310
     5311<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: