Changeset 1736


Ignore:
Timestamp:
Mar 18, 2015 11:12:58 AM (7 years ago)
Author:
vondreele
Message:

revised CW Neutron exercise

Location:
Tutorials/CWNeutron
Files:
19 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/CWNeutron/Neutron CW Powder Data.htm

    r1705 r1736  
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     132   UnhideWhenUsed="true" Name="toc 4"/>
     133  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     134   UnhideWhenUsed="true" Name="toc 5"/>
     135  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     136   UnhideWhenUsed="true" Name="toc 6"/>
     137  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     138   UnhideWhenUsed="true" Name="toc 7"/>
     139  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     140   UnhideWhenUsed="true" Name="toc 8"/>
     141  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     142   UnhideWhenUsed="true" Name="toc 9"/>
     143  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     144   Name="Normal Indent"/>
     145  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     146   Name="footnote text"/>
     147  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     148   Name="annotation text"/>
     149  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     150   Name="header"/>
     151  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     152   Name="footer"/>
     153  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     154   Name="index heading"/>
     155  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
     156   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
     157  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     158   Name="table of figures"/>
     159  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     160   Name="envelope address"/>
     161  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     162   Name="envelope return"/>
     163  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     164   Name="footnote reference"/>
     165  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     166   Name="annotation reference"/>
     167  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     168   Name="line number"/>
     169  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     170   Name="page number"/>
     171  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     172   Name="endnote reference"/>
     173  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     174   Name="endnote text"/>
     175  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     176   Name="table of authorities"/>
     177  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     178   Name="macro"/>
     179  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     180   Name="toa heading"/>
     181  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     182   Name="List"/>
     183  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     184   Name="List Bullet"/>
     185  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     186   Name="List Number"/>
     187  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     188   Name="List 2"/>
     189  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     190   Name="List 3"/>
     191  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     192   Name="List 4"/>
     193  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     194   Name="List 5"/>
     195  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     196   Name="List Bullet 2"/>
     197  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     198   Name="List Bullet 3"/>
     199  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     200   Name="List Bullet 4"/>
     201  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     202   Name="List Bullet 5"/>
     203  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     204   Name="List Number 2"/>
     205  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     206   Name="List Number 3"/>
     207  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     208   Name="List Number 4"/>
     209  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     210   Name="List Number 5"/>
     211  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
     212  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     213   Name="Closing"/>
     214  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     215   Name="Signature"/>
     216  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
     217   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
     218  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     219   Name="Body Text"/>
     220  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     221   Name="Body Text Indent"/>
     222  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     223   Name="List Continue"/>
     224  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     225   Name="List Continue 2"/>
     226  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     227   Name="List Continue 3"/>
     228  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     229   Name="List Continue 4"/>
     230  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     231   Name="List Continue 5"/>
     232  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     233   Name="Message Header"/>
     234  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
     235  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     236   Name="Salutation"/>
     237  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     238   Name="Date"/>
     239  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     240   Name="Body Text First Indent"/>
     241  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     242   Name="Body Text First Indent 2"/>
     243  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     244   Name="Note Heading"/>
     245  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     246   Name="Body Text 2"/>
     247  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     248   Name="Body Text 3"/>
     249  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     250   Name="Body Text Indent 2"/>
     251  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     252   Name="Body Text Indent 3"/>
     253  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     254   Name="Block Text"/>
     255  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     256   Name="Hyperlink"/>
     257  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     258   Name="FollowedHyperlink"/>
     259  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
     260  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
     261  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     262   Name="Document Map"/>
     263  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     264   Name="Plain Text"/>
     265  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     266   Name="E-mail Signature"/>
     267  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     268   Name="HTML Top of Form"/>
     269  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     270   Name="HTML Bottom of Form"/>
     271  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     272   Name="Normal (Web)"/>
     273  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     274   Name="HTML Acronym"/>
     275  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     276   Name="HTML Address"/>
     277  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     278   Name="HTML Cite"/>
     279  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     280   Name="HTML Code"/>
     281  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     282   Name="HTML Definition"/>
     283  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     284   Name="HTML Keyboard"/>
     285  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     286   Name="HTML Preformatted"/>
     287  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     288   Name="HTML Sample"/>
     289  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     290   Name="HTML Typewriter"/>
     291  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     292   Name="HTML Variable"/>
     293  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     294   Name="Normal Table"/>
     295  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     296   Name="annotation subject"/>
     297  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     298   Name="No List"/>
     299  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     300   Name="Outline List 1"/>
     301  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     302   Name="Outline List 2"/>
     303  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     304   Name="Outline List 3"/>
     305  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     306   Name="Table Simple 1"/>
     307  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     308   Name="Table Simple 2"/>
     309  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     310   Name="Table Simple 3"/>
     311  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     312   Name="Table Classic 1"/>
     313  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     314   Name="Table Classic 2"/>
     315  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     316   Name="Table Classic 3"/>
     317  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     318   Name="Table Classic 4"/>
     319  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     320   Name="Table Colorful 1"/>
     321  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     322   Name="Table Colorful 2"/>
     323  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     324   Name="Table Colorful 3"/>
     325  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     326   Name="Table Columns 1"/>
     327  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     328   Name="Table Columns 2"/>
     329  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     330   Name="Table Columns 3"/>
     331  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     332   Name="Table Columns 4"/>
     333  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     334   Name="Table Columns 5"/>
     335  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     336   Name="Table Grid 1"/>
     337  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     338   Name="Table Grid 2"/>
     339  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     340   Name="Table Grid 3"/>
     341  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     342   Name="Table Grid 4"/>
     343  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     344   Name="Table Grid 5"/>
     345  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     346   Name="Table Grid 6"/>
     347  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     348   Name="Table Grid 7"/>
     349  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     350   Name="Table Grid 8"/>
     351  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     352   Name="Table List 1"/>
     353  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     354   Name="Table List 2"/>
     355  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     356   Name="Table List 3"/>
     357  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     358   Name="Table List 4"/>
     359  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     360   Name="Table List 5"/>
     361  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     362   Name="Table List 6"/>
     363  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     364   Name="Table List 7"/>
     365  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     366   Name="Table List 8"/>
     367  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     368   Name="Table 3D effects 1"/>
     369  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     370   Name="Table 3D effects 2"/>
     371  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     372   Name="Table 3D effects 3"/>
     373  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     374   Name="Table Contemporary"/>
     375  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     376   Name="Table Elegant"/>
     377  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     378   Name="Table Professional"/>
     379  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     380   Name="Table Subtle 1"/>
     381  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     382   Name="Table Subtle 2"/>
     383  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     384   Name="Table Web 1"/>
     385  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     386   Name="Table Web 2"/>
     387  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     388   Name="Table Web 3"/>
     389  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     390   Name="Balloon Text"/>
     391  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
     392  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     393   Name="Table Theme"/>
     394  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
     395  <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
     396  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
     397  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
     398  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
     399  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
     400  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
     401  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
     402  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
     403  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
     404  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
     405  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
     406  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
     407  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
     408  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
     409  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
     410  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
     411  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
     412  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
     413  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
     414  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
     415  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
     416  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
     417  <w:LsdException Locked="false" Priority="34" QFormat="true"
     418   Name="List Paragraph"/>
     419  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
     420  <w:LsdException Locked="false" Priority="30" QFormat="true"
     421   Name="Intense Quote"/>
     422  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
     423  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
     424  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
     425  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
     426  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
     427  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
     428  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
     429  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
     430  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
     431  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
     432  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
     433  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
     434  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
     435  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
     436  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
     437  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
     438  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
     439  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
     440  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
     441  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
     442  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
     443  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
     444  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
     445  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
     446  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
     447  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
     448  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
     449  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
     450  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
     451  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
     452  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
     453  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
     454  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
     455  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
     456  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
     457  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
     458  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
     459  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
     460  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
     461  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
     462  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
     463  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
     464  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
     465  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
     466  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
     467  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
     468  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
     469  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
     470  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
     471  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
     472  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
     473  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
     474  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
     475  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
     476  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
     477  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
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    9791298
    9801299<p class=MsoNormal>In this tutorial you will refine the structure of yttrium
    981 iron/aluminum garnet using constant wavelength neutron data. The structure is
    982 cubic with four different atomic sites two of which are occupied by both iron
    983 and aluminum. The data was taken on the D1a powder diffractometer at the ILL,
     1300iron/aluminum garnet using constant wavelength neutron data. The structure is cubic
     1301with four different atomic sites two of which are occupied by both iron and
     1302aluminum. The data was taken on the D1a powder diffractometer at the ILL,
    9841303Grenoble, France using 1.909Å wavelength neutrons.</p>
    9851304
    986 <p class=MsoNormal>If you have not done so already, <a
    987 href="Starting%20GSAS.htm">start GSAS-II</a>.</p>
     1305<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
    9881306
    9891307<h2>Step 1: read in the data file</h2>
     
    9921310style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    9931311style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
    994 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1312the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    9951313mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    9961314Calibri;mso-bidi-theme-font:minor-latin'>Import/Powder Data/from GSAS file</span></b>
     
    9991317GSAS (angles in <span class=SpellE>centidegrees</span>). Other submenu items
    10001318will read the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1001 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1319style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10021320mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10031321minor-latin'>cif</span></b></span> format or the <span class=SpellE><b
    1004 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1322style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10051323mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10061324Calibri;mso-bidi-theme-font:minor-latin'>xye</span></b></span> format (angles
    10071325in degrees) used by <span class=SpellE>Topas</span>, etc.<span
    10081326style='mso-spacerun:yes'>  </span>Change the file directory to <b
    1009 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1010 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1011 Calibri;mso-bidi-theme-font:minor-latin'>Exercises/garnet</span></b><span
    1012 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1327style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1328mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1329Calibri;mso-bidi-theme-font:minor-latin'>exercises/<span class=SpellE>CWNeutron</span></span></b><span
     1330style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10131331mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10141332minor-latin'> to find the file; you will need to change the file type to <b
     
    10201338style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
    10211339the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1022 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1023 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1024 minor-latin'>garnet.raw</span></b></span><span style='font-family:"Calibri","sans-serif";
     1340style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1341mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1342minor-latin'>garnet.raw</span></b></span><span style='font-family:"Calibri",sans-serif;
    10251343mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10261344Calibri;mso-bidi-theme-font:minor-latin'> data</span> file in the first dialog
    1027 and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1345and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10281346mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10291347Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
    10301348Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    1031 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1349style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10321350mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10331351minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
    1034 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1352style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10351353mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10361354minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
    1037 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1355style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10381356mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10391357Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
     
    10431361style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    10441362style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
    1045 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1363the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10461364mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10471365Calibri;mso-bidi-theme-font:minor-latin'>inst_d1a.prm</span></b> instrument
    10481366parameter file in the second dialog and press <b style='mso-bidi-font-weight:
    1049 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1367normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    10501368minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    10511369mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
    10521370
    10531371<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
    1054 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1372style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10551373mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10561374minor-latin'>GSAS-II data tree</span></b> window will have several entries and
     
    10771395 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    10781396 <o:lock v:ext="edit" aspectratio="t"/>
    1079 </v:shapetype><v:shape id="_x0000_i1045" type="#_x0000_t75" style='width:525pt;
    1080  height:450pt;visibility:visible;mso-wrap-style:square'>
     1397</v:shapetype><v:shape id="Picture_x0020_22" o:spid="_x0000_i1046" type="#_x0000_t75"
     1398 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
    10811399 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image001.png" o:title=""/>
    1082 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1083 src="Neutron%20CW%20Powder%20Data_files/image001.png" v:shapes="_x0000_i1045"><![endif]></span></p>
     1400</v:shape><![endif]--><![if !vml]><img width=700 height=600
     1401src="Neutron%20CW%20Powder%20Data_files/image001.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    10841402
    10851403<h2>Step 2: Create the phase</h2>
     
    10881406style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    10891407style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
    1090 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1408the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10911409mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    10921410Calibri;mso-bidi-theme-font:minor-latin'>Data/Add phase</span></b> menu item to
    10931411begin creation of the new phase for this garnet; enter a phase name in the
    10941412dialog box, we assume ‘<b style='mso-bidi-font-weight:normal'><span
    1095 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1413style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    10961414mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    10971415minor-latin'>garnet</span></b>’.</p>
     
    11011419style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>At
    11021420the bottom of the <b style='mso-bidi-font-weight:normal'><span
    1103 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1421style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11041422mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11051423minor-latin'>GSAS-II tree</span></b> find <b style='mso-bidi-font-weight:normal'><span
    1106 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1424style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11071425mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11081426minor-latin'>Phases</span></b> &amp; click the ’<b style='mso-bidi-font-weight:
    1109 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1427normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    11101428minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    11111429mso-bidi-theme-font:minor-latin'>+</span></b>’ box to expand it. Then click on <b
    1112 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1430style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11131431mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11141432Calibri;mso-bidi-theme-font:minor-latin'>garnet</span></b> to select it; the <b
    1115 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1433style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11161434mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11171435Calibri;mso-bidi-theme-font:minor-latin'>Phase data for garnet</span></b>
    1118 window will appear and the <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1119  id="_x0000_i1044" type="#_x0000_t75" style='width:622.5pt;height:323.25pt;
     1436window will appear and the <b style='mso-bidi-font-weight:normal'><span
     1437style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1438mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1439minor-latin;mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_23"
     1440 o:spid="_x0000_i1045" type="#_x0000_t75" style='width:640.5pt;height:375pt;
    11201441 visibility:visible;mso-wrap-style:square'>
    11211442 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image002.png" o:title=""/>
    1122 </v:shape><![endif]--><![if !vml]><img border=0 width=830 height=431
    1123 src="Neutron%20CW%20Powder%20Data_files/image002.png" v:shapes="_x0000_i1044"><![endif]></span><b
    1124 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1443</v:shape><![endif]--><![if !vml]><img width=854 height=500
     1444src="Neutron%20CW%20Powder%20Data_files/image002.png" v:shapes="Picture_x0020_23"><![endif]></span></b><b
     1445style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11251446mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11261447Calibri;mso-bidi-theme-font:minor-latin'>General</span></b> tab is visible.</p>
     
    11291450style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    11301451style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
    1131 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1452<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11321453mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11331454Calibri;mso-bidi-theme-font:minor-latin'>Phase type</span></b> is correctly set
    1134 to “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1455to “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11351456mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11361457Calibri;mso-bidi-theme-font:minor-latin'>nuclear</span></b>”; other options
    11371458will become valid in the future. Enter the space group ‘<b style='mso-bidi-font-weight:
    1138 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1459normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    11391460minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    11401461mso-bidi-theme-font:minor-latin'>I a 3 d</span></b>’ (spaces between axial
    11411462fields are required in GSAS-II) and press <b style='mso-bidi-font-weight:normal'><span
    1142 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1463style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11431464mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11441465minor-latin'>Enter</span></b>, the space group information window will appear</p>
    11451466
    11461467<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1147  id="Picture_x0020_3" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:333.75pt;
    1148  height:355.5pt;visibility:visible;mso-wrap-style:square'>
     1468 id="Picture_x0020_24" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:259.5pt;
     1469 height:275.25pt;visibility:visible;mso-wrap-style:square'>
    11491470 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image003.png" o:title=""/>
    1150 </v:shape><![endif]--><![if !vml]><img border=0 width=445 height=474
    1151 src="Neutron%20CW%20Powder%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
     1471</v:shape><![endif]--><![if !vml]><img width=346 height=367
     1472src="Neutron%20CW%20Powder%20Data_files/image003.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    11521473
    11531474<p class=MsoListParagraphCxSpMiddle>Press <b style='mso-bidi-font-weight:normal'><span
    1154 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1475style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11551476mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11561477minor-latin'>OK</span></b> to exit. The <b style='mso-bidi-font-weight:normal'><span
    1157 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1478style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11581479mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11591480minor-latin'>General</span></b> tab display will change (principally changes in
     
    11641485style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Enter
    11651486the lattice parameter for garnet (a=<b style='mso-bidi-font-weight:normal'><span
    1166 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1487style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11671488mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11681489minor-latin'>12.19</span></b>) in the appropriate field and press <b
    1169 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1490style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11701491mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11711492Calibri;mso-bidi-theme-font:minor-latin'>Enter</span></b>. The display will
     
    11751496style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    11761497style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Click
    1177 on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1498on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11781499mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11791500Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b> tab in the <b
    1180 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1501style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11811502mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11821503Calibri;mso-bidi-theme-font:minor-latin'>Phase data for garnet </span></b>window
    11831504and select <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1184 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1505"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    11851506minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Edit/Add
    11861507powder histograms</span></b> in the menu for this window. A <b
    1187 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1508style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11881509mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    11891510Calibri;mso-bidi-theme-font:minor-latin'>Use data</span></b> window will appear
    11901511with only one choice <b style='mso-bidi-font-weight:normal'><span
    1191 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1512style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11921513mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11931514minor-latin'>PWDR <span class=SpellE>garnet.raw</span>: BANK 1</span></b>.
    11941515Select it and press <b style='mso-bidi-font-weight:normal'><span
    1195 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1516style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    11961517mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    11971518minor-latin'>OK</span></b>. The <b style='mso-bidi-font-weight:normal'><span
    1198 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1199 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1200 minor-latin'>Data</span></b> tab will change; press the <b style='mso-bidi-font-weight:
    1201 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1202 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1203 mso-bidi-theme-font:minor-latin'>Show PWDR <span class=SpellE>garnet.raw</span>:
    1204 BANK 1</span></b> check box; the window will change again</p>
    1205 
    1206 <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1207  id="Picture_x0020_24" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:480pt;
    1208  height:370.5pt;visibility:visible;mso-wrap-style:square'>
     1519style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1520mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1521minor-latin'>Data</span></b> tab will change<br>
     1522<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27"
     1523 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:342.75pt;height:375pt;
     1524 visibility:visible;mso-wrap-style:square'>
    12091525 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image004.png" o:title=""/>
    1210 </v:shape><![endif]--><![if !vml]><img border=0 width=640 height=494
    1211 src="Neutron%20CW%20Powder%20Data_files/image004.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    1212 
    1213 <p class=MsoListParagraphCxSpLast>I’ve pulled down the bottom of the window to
    1214 show the whole thing. This window is the home of parameters that are both phase
    1215 and data set dependent. These include phase fraction, crystallite size, <span
    1216 class=SpellE>mustrain</span> &amp; preferred orientation. None of these are
    1217 needed for this refinement so you can unclick the <b style='mso-bidi-font-weight:
    1218 normal'>Show</b> check box.</p>
    1219 
    1220 <h2><span class=GramE>Step 3.</span> Insert the atoms</h2>
     1526</v:shape><![endif]--><![if !vml]><img width=457 height=500
     1527src="Neutron%20CW%20Powder%20Data_files/image004.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     1528
     1529<p class=MsoListParagraphCxSpLast>This window is the home of parameters that
     1530are both phase and data set dependent. These include phase fraction,
     1531crystallite size, <span class=SpellE>mustrain</span> &amp; preferred
     1532orientation.</p>
     1533
     1534<h2>Step 3. Insert the atoms</h2>
    12211535
    12221536<p class=MsoNormal>Click on the <b style='mso-bidi-font-weight:normal'><span
    1223 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1537style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    12241538mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    12251539minor-latin'>Atoms</span></b> tab; this is where you will insert the atoms for
     
    14311745
    14321746<p class=MsoNormal>To begin use the <b style='mso-bidi-font-weight:normal'><span
    1433 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1747style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    14341748mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    14351749minor-latin'>Edit/Append atom</span></b> in the menu on the <b
    1436 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1750style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14371751mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14381752Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab 6 times to create
     
    14401754
    14411755<p class=MsoNormal style='text-indent:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1442  id="Picture_x0020_6" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;
     1756 id="Picture_x0020_6" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
    14431757 height:195pt;visibility:visible;mso-wrap-style:square'>
    14441758 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image005.png" o:title=""/>
    1445 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=260
     1759</v:shape><![endif]--><![if !vml]><img width=700 height=260
    14461760src="Neutron%20CW%20Powder%20Data_files/image005.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
    14471761
    14481762<p class=MsoNormal>Then for each atom to be inserted, double click on the “<b
    1449 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1763style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14501764mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14511765Calibri;mso-bidi-theme-font:minor-latin'>H</span></b>” in the <b
    1452 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1766style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14531767mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14541768Calibri;mso-bidi-theme-font:minor-latin'>Type</span></b> column; a Periodic
     
    14561770
    14571771<p class=MsoNormal style='text-indent:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1458  id="Picture_x0020_7" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:582pt;
     1772 id="Picture_x0020_7" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:582pt;
    14591773 height:208.5pt;visibility:visible;mso-wrap-style:square'>
    14601774 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image006.png" o:title=""/>
    1461 </v:shape><![endif]--><![if !vml]><img border=0 width=776 height=278
     1775</v:shape><![endif]--><![if !vml]><img width=776 height=278
    14621776src="Neutron%20CW%20Powder%20Data_files/image006.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    14631777
    14641778<p class=MsoNormal>Each element has a small pull down selection for the
    14651779possible valences (usually choose the “zero” one). Select “<b style='mso-bidi-font-weight:
    1466 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1780normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    14671781minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    14681782mso-bidi-theme-font:minor-latin'>Y</span></b>”, the Table will vanish and the <b
    1469 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1783style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14701784mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14711785Calibri;mso-bidi-theme-font:minor-latin'>Name</span></b> and <b
    1472 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1786style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14731787mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14741788Calibri;mso-bidi-theme-font:minor-latin'>Type</span></b> for that atom will
    14751789change. Then enter the values for <b style='mso-bidi-font-weight:normal'><span
    1476 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1790style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    14771791mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    14781792minor-latin'>x</span></b>, <b style='mso-bidi-font-weight:normal'><span
    1479 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1793style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    14801794mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    14811795minor-latin'>y</span></b> and <b style='mso-bidi-font-weight:normal'><span
    1482 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1796style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    14831797mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    14841798minor-latin'>z</span></b>; you can use Tab to move to the next one. You may use
    14851799fractions for the atom coordinates (e.g. 1/4, 3/8). Do this for each atom in
    1486 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1800the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14871801mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    14881802Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> table. You can leave
    14891803both <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1490 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1804style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    14911805mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    14921806minor-latin'>frac</span></b></span> and <span class=SpellE><b style='mso-bidi-font-weight:
    1493 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1807normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    14941808minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    14951809mso-bidi-theme-font:minor-latin'>Uiso</span></b></span> at the default values.
     
    14971811
    14981812<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1499  id="Picture_x0020_26" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
    1500  height:225pt;visibility:visible;mso-wrap-style:square'>
     1813 id="_x0000_i1040" type="#_x0000_t75" style='width:525pt;height:225pt;
     1814 visibility:visible;mso-wrap-style:square'>
    15011815 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image007.png" o:title=""/>
    1502 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
    1503 src="Neutron%20CW%20Powder%20Data_files/image007.png" v:shapes="Picture_x0020_26"><![endif]></span><br
     1816</v:shape><![endif]--><![if !vml]><img width=700 height=300
     1817src="Neutron%20CW%20Powder%20Data_files/image007.png" v:shapes="_x0000_i1040"><![endif]></span><br
    15041818clear=all>
    15051819You can now do your first Rietveld refinement on this problem. To do this, do <b
    1506 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1820style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15071821mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    15081822Calibri;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> in the <b
    1509 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1823style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15101824mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    15111825Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu; a
    1512 file dialog will ask you for a name for this project; you can change the
    1513 directory if you wish. We assume the name “<b style='mso-bidi-font-weight:normal'><span
    1514 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1826file dialog will ask you for a name for this project; you can change the directory
     1827if you wish. We assume the name “<b style='mso-bidi-font-weight:normal'><span
     1828style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    15151829mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    15161830minor-latin'>YAG</span></b>”; the current project will be saved as <span
    15171831class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1518 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1832"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    15191833minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>YAG.gpx</span></b></span>
    15201834and the first backup file (<b style='mso-bidi-font-weight:normal'><span
    1521 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1835style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    15221836mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    15231837minor-latin'>YAG.bak0.gpx</span></b>) will also be created and then the
    15241838Rietveld refinement will be performed. By default, only the histogram scale
    15251839factor (found under <b style='mso-bidi-font-weight:normal'><span
    1526 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1840style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    15271841mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    15281842minor-latin'>Sample Parameters</span></b> for <b style='mso-bidi-font-weight:
    1529 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1843normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    15301844minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    15311845mso-bidi-theme-font:minor-latin'>PWDR <span class=SpellE>garnet.raw</span>:
    15321846BANK1</span></b> in the <b style='mso-bidi-font-weight:normal'><span
    1533 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1847style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    15341848mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    15351849minor-latin'>GSAS-II data tree</span></b>) and 3 background coefficients are
     
    15371851
    15381852<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1539  id="Picture_x0020_27" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
    1540  height:450pt;visibility:visible;mso-wrap-style:square'>
     1853 id="Picture_x0020_30" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
     1854 height:375.75pt;visibility:visible;mso-wrap-style:square'>
    15411855 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image008.png" o:title=""/>
    1542 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1543 src="Neutron%20CW%20Powder%20Data_files/image008.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     1856</v:shape><![endif]--><![if !vml]><img width=700 height=501
     1857src="Neutron%20CW%20Powder%20Data_files/image008.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    15441858
    15451859<p class=MsoNormal><span class=GramE>shows</span> a pretty poor fit (<span
    15461860class=SpellE>Rwp</span> ~33%) and details can be found in the <span
    15471861class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1548 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1862"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    15491863minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>YAG.lst</span></b></span>
    15501864file. What appears to be in error includes some structural features (I’d first
    15511865suspect site fractions for the Fe/Al sites) and something about the peak
    1552 positions (lattice parameter &amp; zero point). We can introduce all these
    1553 parameters now.</p>
     1866positions (lattice parameter). We can introduce all these parameters now.</p>
    15541867
    15551868<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span
    15561869style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    15571870style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
    1558 to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1559 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1560 Calibri;mso-bidi-theme-font:minor-latin'>PWDR garnet.raw:BaNK1/Instrument
    1561 Parameters</span></b> and check the <b style='mso-bidi-font-weight:normal'><span
    1562 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1563 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1564 minor-latin'>Refine?</span></b> <span class=GramE>for</span> <b
    1565 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1566 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1567 Calibri;mso-bidi-theme-font:minor-latin'>Zero.</span></b></p>
     1871to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1872mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1873Calibri;mso-bidi-theme-font:minor-latin'>Phases/garnet</span></b> and check <b
     1874style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1875mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1876Calibri;mso-bidi-theme-font:minor-latin'>Refine unit cell</span></b> in the <b
     1877style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1878mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1879Calibri;mso-bidi-theme-font:minor-latin'>General</span></b> tab.</p>
    15681880
    15691881<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span
    15701882style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    1571 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
    1572 to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1573 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1574 Calibri;mso-bidi-theme-font:minor-latin'>Phases/garnet</span></b> and check <b
    1575 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1576 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1577 Calibri;mso-bidi-theme-font:minor-latin'>Refine unit cell</span></b> in the <b
    1578 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1579 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1580 Calibri;mso-bidi-theme-font:minor-latin'>General</span></b> tab.</p>
     1883style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
     1884go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1885mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1886Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> in the main “<b
     1887style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1888mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1889Calibri;mso-bidi-theme-font:minor-latin'>Saving project as</span></b>” list in
     1890the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1891mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1892Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. You will
     1893see an empty window with 3 tabs; <b style='mso-bidi-font-weight:normal'><span
     1894style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1895mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1896minor-latin'>Phase constraints</span></b> is the one you want. Select <b
     1897style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1898mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1899Calibri;mso-bidi-theme-font:minor-latin'>Edit/Add equivalence</span></b> from
     1900the menu. You will see the following new window</p>
     1901
     1902<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1903 id="Picture_x0020_31" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468.75pt;
     1904 height:300pt;visibility:visible;mso-wrap-style:square'>
     1905 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image009.png" o:title=""/>
     1906</v:shape><![endif]--><![if !vml]><img width=625 height=400
     1907src="Neutron%20CW%20Powder%20Data_files/image009.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     1908
     1909<p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
     1910style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1911mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1912Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:1 for Fe(2)
     1913</span></b> and
     1914press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1915mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1916Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>; a new window will
     1917appear</p>
     1918
     1919<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1920 id="Picture_x0020_32" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468.75pt;
     1921 height:300pt;visibility:visible;mso-wrap-style:square'>
     1922 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image010.png" o:title=""/>
     1923</v:shape><![endif]--><![if !vml]><img width=625 height=400
     1924src="Neutron%20CW%20Powder%20Data_files/image010.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     1925
     1926<p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
     1927style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1928mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1929Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:2 for Al(3)</span></b> and
     1930press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1931mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1932Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. That will form the
     1933first equivalence you need between the Fe and Al atoms that occupy the atom
     1934site at 0<span class=GramE>,0,0</span> in the cell. This shows up in the <b
     1935style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1936mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1937Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> window.</p>
     1938
     1939<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1940 id="Picture_x0020_34" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:262.5pt;
     1941 height:181.5pt;visibility:visible;mso-wrap-style:square'>
     1942 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image011.png" o:title=""/>
     1943</v:shape><![endif]--><![if !vml]><img width=350 height=242
     1944src="Neutron%20CW%20Powder%20Data_files/image011.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
     1945
     1946<p class=MsoListParagraphCxSpMiddle>Now do the same for the atoms <b
     1947style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1948mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1949Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:3 for Al(4)</span></b> and <b
     1950style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1951mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1952Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:4 for Fe(5)</span></b> to
     1953make that pair of atoms have the same <span class=SpellE>Uiso</span>.</p>
    15811954
    15821955<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span
    15831956style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    15841957style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
    1585 go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1586 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1587 Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> in the main “<b
    1588 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1589 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1590 Calibri;mso-bidi-theme-font:minor-latin'>Loaded Data</span></b>” list in the <b
    1591 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1592 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1593 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. You will
    1594 see an empty window with 3 tabs; <span class=GramE><b style='mso-bidi-font-weight:
    1595 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1958select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1959mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1960Calibri;mso-bidi-theme-font:minor-latin'>Edit/Add constraint</span></b> from
     1961the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1962mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1963Calibri;mso-bidi-theme-font:minor-latin'>Phase Constraints</span></b> tab. A
     1964now familiar window will appear; select <b style='mso-bidi-font-weight:normal'><span
     1965style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1966mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1967minor-latin'>0:<span class=GramE>:Afrac:1</span> for Fe(2)</span></b> and press
     1968OK. Again you will see the same second window; select <b style='mso-bidi-font-weight:
     1969normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    15961970minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1597 mso-bidi-theme-font:minor-latin'>Phase constraints</span></b> is</span> the one
    1598 you want. Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1599 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1600 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Edit/Add
    1601 equivalence</span></b> from the menu. You will see the following new window</p>
     1971mso-bidi-theme-font:minor-latin'>0:<span class=GramE>:Afrac:2</span> for Al(3)</span></b>
     1972and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1973mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1974Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. Do the same thing for <b
     1975style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1976mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1977Calibri;mso-bidi-theme-font:minor-latin'>0::Afrac:3 for Al(4)</span></b> – you
     1978may have to scroll down the list to see this – and <b style='mso-bidi-font-weight:
     1979normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1980minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
     1981mso-bidi-theme-font:minor-latin'>0::Afrac:4 for Fe(5)</span></b>. When done the
     1982<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1983mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     1984Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> window should
     1985look like</p>
    16021986
    16031987<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1604  id="Picture_x0020_11" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:259.5pt;
    1605  height:271.5pt;visibility:visible;mso-wrap-style:square'>
    1606  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image009.png" o:title=""/>
    1607 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=362
    1608 src="Neutron%20CW%20Powder%20Data_files/image009.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    1609 
    1610 <p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
    1611 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1612 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1613 Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:1 for Fe(2)</span></b> and
    1614 press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1615 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1616 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>; a new window will
    1617 appear</p>
    1618 
    1619 <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1620  id="Picture_x0020_28" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:259.5pt;
    1621  height:271.5pt;visibility:visible;mso-wrap-style:square'>
    1622  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image010.png" o:title=""/>
    1623 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=362
    1624 src="Neutron%20CW%20Powder%20Data_files/image010.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    1625 
    1626 <p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
    1627 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1628 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1629 Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:2 for Al(3)</span></b> and
    1630 press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1631 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1632 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. That will form the
    1633 first equivalence you need between the Fe and Al atoms that occupy the atom
    1634 site at 0<span class=GramE>,0,0</span> in the cell. This shows up in the <b
    1635 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1636 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1637 Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> window.</p>
    1638 
    1639 <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1640  id="Picture_x0020_13" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:244.5pt;
    1641  height:187.5pt;visibility:visible;mso-wrap-style:square'>
    1642  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image011.png" o:title=""/>
    1643 </v:shape><![endif]--><![if !vml]><img border=0 width=326 height=250
    1644 src="Neutron%20CW%20Powder%20Data_files/image011.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    1645 
    1646 <p class=MsoListParagraphCxSpMiddle>Now do the same for the atoms <b
    1647 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1648 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1649 Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:3 for Al(4)</span></b> and <b
    1650 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1651 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1652 Calibri;mso-bidi-theme-font:minor-latin'>0::AUiso:4 for Fe(5)</span></b> to
    1653 make that pair of atoms have the same <span class=SpellE>Uiso</span>.</p>
     1988 id="Picture_x0020_35" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:311.25pt;
     1989 height:251.25pt;visibility:visible;mso-wrap-style:square'>
     1990 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image012.png" o:title=""/>
     1991</v:shape><![endif]--><![if !vml]><img width=415 height=335
     1992src="Neutron%20CW%20Powder%20Data_files/image012.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     1993
     1994<p class=MsoListParagraphCxSpMiddle>This process set the
     1995equivalences/constraints for the two Fe/Al sites in the garnet so that
     1996refinement of <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     1997style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1998mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     1999minor-latin'>frac</span></b></span> and <span class=SpellE><b style='mso-bidi-font-weight:
     2000normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2001minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
     2002mso-bidi-theme-font:minor-latin'>Uiso</span></b></span> will succeed. GSAS-II constraints
     2003will correct the site fractions and <span class=SpellE>Uiso</span> values so
     2004that they conform to the constraints as written. You need not be concerned
     2005about their starting values beforehand. Also note the way each parameter was
     2006named; the general form is <b style='mso-bidi-font-weight:normal'><span
     2007style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2008mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     2009minor-latin'>p<span class=GramE>:h:name:num</span></span></b> where <b
     2010style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2011mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2012Calibri;mso-bidi-theme-font:minor-latin'>p</span></b> is a phase number, <b
     2013style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2014mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2015Calibri;mso-bidi-theme-font:minor-latin'>h</span></b> is a histogram number, <b
     2016style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2017mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2018Calibri;mso-bidi-theme-font:minor-latin'>name</span></b> is the parameter name
     2019and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     2020style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2021mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     2022minor-latin'>num</span></b></span> is an optional number (e.g. an atom number).</p>
    16542023
    16552024<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span
    16562025style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    1657 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
    1658 select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1659 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1660 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Add constraint</span></b> from
    1661 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1662 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1663 Calibri;mso-bidi-theme-font:minor-latin'>Phase Constraints</span></b> tab. A
    1664 now familiar window will appear; select <b style='mso-bidi-font-weight:normal'><span
    1665 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1666 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1667 minor-latin'>0:<span class=GramE>:Afrac:1</span> for Fe(2)</span></b> and press
    1668 OK. Again you will see the same second window; select <b style='mso-bidi-font-weight:
    1669 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1670 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1671 mso-bidi-theme-font:minor-latin'>0:<span class=GramE>:Afrac:2</span> for Al(3)</span></b>
    1672 and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1673 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1674 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. Do the same thing for <b
    1675 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1676 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1677 Calibri;mso-bidi-theme-font:minor-latin'>0::Afrac:3 for Al(4)</span></b> – you
    1678 may have to scroll down the list to see this – and <b style='mso-bidi-font-weight:
    1679 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1680 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1681 mso-bidi-theme-font:minor-latin'>0::Afrac:4 for Fe(5)</span></b>. When done the
    1682 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1683 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1684 Calibri;mso-bidi-theme-font:minor-latin'>Constraints</span></b> window should
    1685 look like</p>
    1686 
    1687 <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1688  id="Picture_x0020_14" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:309.75pt;
    1689  height:187.5pt;visibility:visible;mso-wrap-style:square'>
    1690  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image012.png" o:title=""/>
    1691 </v:shape><![endif]--><![if !vml]><img border=0 width=413 height=250
    1692 src="Neutron%20CW%20Powder%20Data_files/image012.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
    1693 
    1694 <p class=MsoListParagraphCxSpMiddle>This process set the
    1695 equivalences/constraints for the two Fe/Al sites in the garnet so that refinement
    1696 of <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1697 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1698 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1699 minor-latin'>frac</span></b></span> and <span class=SpellE><b style='mso-bidi-font-weight:
    1700 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1701 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1702 mso-bidi-theme-font:minor-latin'>Uiso</span></b></span> will succeed. GSAS-II
    1703 constraints will correct the site fractions and <span class=SpellE>Uiso</span>
    1704 values so that they conform to the constraints as written. You need not be
    1705 concerned about their starting values beforehand. Also note the way each
    1706 parameter was named; the general form is <b style='mso-bidi-font-weight:normal'><span
    1707 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1708 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1709 minor-latin'>p<span class=GramE>:h:name:num</span></span></b> where <b
    1710 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1711 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1712 Calibri;mso-bidi-theme-font:minor-latin'>p</span></b> is a phase number, <b
    1713 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1714 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1715 Calibri;mso-bidi-theme-font:minor-latin'>h</span></b> is a histogram number, <b
    1716 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1717 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1718 Calibri;mso-bidi-theme-font:minor-latin'>name</span></b> is the parameter name
    1719 and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1720 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1721 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1722 minor-latin'>num</span></b></span> is an optional number (e.g. an atom number).</p>
    1723 
    1724 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span
    1725 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    17262026style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
    1727 to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2027to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17282028mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    17292029Calibri;mso-bidi-theme-font:minor-latin'>Phases/garnet</span></b> item in the <b
    1730 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2030style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17312031mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    17322032Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and
    17332033select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1734 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2034"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    17352035minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
    17362036tab. Note the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    1737 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     2037style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    17382038mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    17392039minor-latin'>frac</span></b></span> values are unchanged from what you
    1740 originally entered. Don’t <span class=GramE>worry,</span> they will be
    1741 corrected in the next refinement. We now have to set the refinement of <span
    1742 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1743 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1744 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>frac</span></b></span>
    1745 for the Fe/Al sites. There are many ways to do <span class=GramE>this,</span>
    1746 we will show you one method now. Select row <b style='mso-bidi-font-weight:
    1747 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2040originally entered. Don’t worry, they will be corrected in the next refinement.
     2041We now have to set the refinement of <span class=SpellE><b style='mso-bidi-font-weight:
     2042normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    17482043minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1749 mso-bidi-theme-font:minor-latin'>1</span></b> for <span class=GramE>Fe(</span>2)
    1750 and then holding the Ctrl key down select rows <b style='mso-bidi-font-weight:
    1751 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1752 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    1753 mso-bidi-theme-font:minor-latin'>2-4</span></b>; they will appear all gray.
    1754 Next select <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1755 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1756 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Edit/Set
    1757 atom refinement flags</span></b> from the <b style='mso-bidi-font-weight:normal'><span
    1758 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    1759 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1760 minor-latin'>Atoms</span></b> menu; a new window will appear</p>
     2044mso-bidi-theme-font:minor-latin'>frac</span></b></span> for the Fe/Al sites.
     2045There are many ways to do this, we will show you one method now. Select row <b
     2046style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2047mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2048Calibri;mso-bidi-theme-font:minor-latin'>1</span></b> for Fe(2) and then
     2049holding the Ctrl key down select rows <b style='mso-bidi-font-weight:normal'><span
     2050style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2051mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     2052minor-latin'>2-4</span></b>; they will appear all blue or gray. Next select <b
     2053style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2054mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2055Calibri;mso-bidi-theme-font:minor-latin'>Edit/Set atom refinement flags</span></b>
     2056from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2057mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2058Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> menu; a new window
     2059will appear</p>
    17612060
    17622061<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1763  id="Picture_x0020_15" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:259.5pt;
     2062 id="Picture_x0020_15" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:259.5pt;
    17642063 height:252pt;visibility:visible;mso-wrap-style:square'>
    17652064 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image013.png" o:title=""/>
    1766 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
     2065</v:shape><![endif]--><![if !vml]><img width=346 height=336
    17672066src="Neutron%20CW%20Powder%20Data_files/image013.png" v:shapes="Picture_x0020_15"><![endif]></span><span
    17682067style='mso-spacerun:yes'> </span></p>
    17692068
    17702069<p class=MsoListParagraphCxSpMiddle>For now select <b style='mso-bidi-font-weight:
    1771 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2070normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    17722071minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    17732072mso-bidi-theme-font:minor-latin'>F – site fraction</span></b>. You could select
    1774 all <span class=GramE>three,</span> GSAS-II would refine <span class=SpellE><b
    1775 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1776 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1777 Calibri;mso-bidi-theme-font:minor-latin'>frac</span></b></span> &amp; <span
     2073all three, GSAS-II would refine <span class=SpellE><b style='mso-bidi-font-weight:
     2074normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2075minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
     2076mso-bidi-theme-font:minor-latin'>frac</span></b></span> &amp; <span
    17782077class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1779 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2078"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    17802079minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Uiso</span></b></span>
    17812080but not the coordinates as they are fixed as special positions in this case.
    1782 The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2081The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17832082mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    17842083Calibri;mso-bidi-theme-font:minor-latin'>Atom</span></b> window will have an <b
    1785 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2084style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17862085mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    17872086Calibri;mso-bidi-theme-font:minor-latin'>F</span></b> in the refine column each
     
    17892088
    17902089<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1791  id="Picture_x0020_16" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
     2090 id="Picture_x0020_36" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
    17922091 height:225pt;visibility:visible;mso-wrap-style:square'>
    17932092 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image014.png" o:title=""/>
    1794 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
    1795 src="Neutron%20CW%20Powder%20Data_files/image014.png" v:shapes="Picture_x0020_16"><![endif]></span><span
     2093</v:shape><![endif]--><![if !vml]><img width=700 height=300
     2094src="Neutron%20CW%20Powder%20Data_files/image014.png" v:shapes="Picture_x0020_36"><![endif]></span><span
    17962095style='mso-spacerun:yes'> </span></p>
    17972096
    17982097<p class=MsoNormal>You are now ready for your second Rietveld refinement;
    1799 select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1800 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    1801 Calibri;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> from the
    1802 GSAS-II data tree window. There is now a much better fit with <span
     2098select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2099mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     2100Calibri;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> (twice) from
     2101the GSAS-II data tree window. There is now a much better fit with <span
    18032102class=SpellE>Rwp</span> ~12% and a powder pattern that looks like</p>
    18042103
    18052104<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1806  id="Picture_x0020_29" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
     2105 id="Picture_x0020_29" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
    18072106 height:450pt;visibility:visible;mso-wrap-style:square'>
    18082107 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image015.png" o:title=""/>
    1809 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1810 src="Neutron%20CW%20Powder%20Data_files/image015.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     2108</v:shape><![endif]--><![if !vml]><img width=700 height=600
     2109src="Neutron%20CW%20Powder%20Data_files/image015.png" v:shapes="Picture_x0020_29"><![endif]><!--[if gte vml 1]><v:shape
     2110 id="Picture_x0020_37" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
     2111 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     2112 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image016.png" o:title=""/>
     2113</v:shape><![endif]--><![if !vml]><img width=700 height=535
     2114src="Neutron%20CW%20Powder%20Data_files/image016.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    18112115
    18122116<p class=MsoNormal>There appears to be some differences in peak intensities and
     
    18142118atom parameters (<span class=SpellE>Uiso</span> for each and the <span
    18152119class=GramE>O(</span>xyz) parameters. Go to <b style='mso-bidi-font-weight:
    1816 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2120normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18172121minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    18182122mso-bidi-theme-font:minor-latin'>Phases/garnet</span></b> and select the <b
    1819 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2123style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18202124mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    18212125Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab.</p>
    18222126
    18232127<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1824  id="Picture_x0020_18" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
     2128 id="Picture_x0020_38" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
    18252129 height:225pt;visibility:visible;mso-wrap-style:square'>
    1826  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image016.png" o:title=""/>
    1827 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
    1828 src="Neutron%20CW%20Powder%20Data_files/image016.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2130 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image017.png" o:title=""/>
     2131</v:shape><![endif]--><![if !vml]><img width=700 height=300
     2132src="Neutron%20CW%20Powder%20Data_files/image017.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    18292133
    18302134<p class=MsoNormal>Notice that the <span class=SpellE><b style='mso-bidi-font-weight:
    1831 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2135normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18322136minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    18332137mso-bidi-theme-font:minor-latin'>frac</span></b></span> values for the Fe/Al
    18342138atoms now conform to the constraints. For each atom in turn, double click on
    18352139the refine box. A pull down list will appear, select <b style='mso-bidi-font-weight:
    1836 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2140normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18372141minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    18382142mso-bidi-theme-font:minor-latin'>U</span></b> for the Y atom, <b
    1839 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2143style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18402144mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    18412145Calibri;mso-bidi-theme-font:minor-latin'>FU</span></b> for Fe/Al atoms and <b
    1842 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2146style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18432147mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    18442148Calibri;mso-bidi-theme-font:minor-latin'>XU</span></b> for the O atom. Your
     
    18462150
    18472151<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1848  id="Picture_x0020_19" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
     2152 id="Picture_x0020_39" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
    18492153 height:225pt;visibility:visible;mso-wrap-style:square'>
    1850  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image017.png" o:title=""/>
    1851 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
    1852 src="Neutron%20CW%20Powder%20Data_files/image017.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2154 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image018.png" o:title=""/>
     2155</v:shape><![endif]--><![if !vml]><img width=700 height=300
     2156src="Neutron%20CW%20Powder%20Data_files/image018.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    18532157
    18542158<p class=MsoNormal><span class=GramE>when</span> done. Now you can do your
    18552159third Rietveld refinement; select <b style='mso-bidi-font-weight:normal'><span
    1856 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     2160style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    18572161mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    18582162minor-latin'>Calculate/Refine</span></b>. The resulting fit is</p>
    18592163
    18602164<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1861  id="Picture_x0020_30" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:525pt;
    1862  height:450pt;visibility:visible;mso-wrap-style:square'>
    1863  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image018.png" o:title=""/>
    1864 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1865 src="Neutron%20CW%20Powder%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
     2165 id="Picture_x0020_40" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:525pt;
     2166 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     2167 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image019.png" o:title=""/>
     2168</v:shape><![endif]--><![if !vml]><img width=700 height=535
     2169src="Neutron%20CW%20Powder%20Data_files/image019.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    18662170
    18672171<p class=MsoNormal><span class=GramE>with</span> <span class=SpellE>Rwp</span>
    1868 ~8%. There is still an apparent peak offset at the ends of the pattern and
     2172~10%. There is still an apparent peak offset at the ends of the pattern and
    18692173perhaps some misfit of the peak widths.</p>
    18702174
    18712175<p class=MsoNormal>The latter are determined by the U, V &amp; W parameters
    18722176found in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1873 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2177"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    18742178minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>PWDR <span
    18752179class=SpellE>garnet.raw</span>: BANK1/Instrument Parameters</span></b> window.
    18762180Go there and select their <b style='mso-bidi-font-weight:normal'><span
    1877 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     2181style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    18782182mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>flags</span>.
    18792183Next go to <b style='mso-bidi-font-weight:normal'><span style='font-family:
    1880 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2184"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    18812185minor-latin'>Sample Parameters</span></b>.</p>
    18822186
    18832187<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1884  id="Picture_x0020_21" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:225pt;
    1885  height:347.25pt;visibility:visible;mso-wrap-style:square'>
    1886  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image019.png" o:title=""/>
    1887 </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=463
    1888 src="Neutron%20CW%20Powder%20Data_files/image019.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2188 id="Picture_x0020_41" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:234pt;
     2189 height:382.5pt;visibility:visible;mso-wrap-style:square'>
     2190 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image020.png" o:title=""/>
     2191</v:shape><![endif]--><![if !vml]><img width=312 height=510
     2192src="Neutron%20CW%20Powder%20Data_files/image020.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    18892193
    18902194<p class=MsoNormal>Notice that the Histogram scale factor is already being
    18912195refined. Now you will want to refine both <b style='mso-bidi-font-weight:normal'><span
    1892 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     2196style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    18932197mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    18942198minor-latin'>Sample X displacement</span></b> and <b style='mso-bidi-font-weight:
    1895 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2199normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18962200minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    18972201mso-bidi-theme-font:minor-latin'>Sample Y displacement</span></b>. The values
    18982202will be in <span style='font-family:Symbol'>m</span>m if the <b
    1899 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2203style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19002204mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    19012205Calibri;mso-bidi-theme-font:minor-latin'>Goniometer radius</span></b> is
     
    19042208
    19052209<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1906  id="Picture_x0020_22" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
    1907  height:450pt;visibility:visible;mso-wrap-style:square'>
    1908  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image020.png" o:title=""/>
    1909 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    1910 src="Neutron%20CW%20Powder%20Data_files/image020.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
     2210 id="Picture_x0020_42" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
     2211 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     2212 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image021.png" o:title=""/>
     2213</v:shape><![endif]--><![if !vml]><img width=700 height=535
     2214src="Neutron%20CW%20Powder%20Data_files/image021.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    19112215
    19122216<p class=MsoNormal><span class=GramE>is</span> nearly perfect! <span
    1913 class=SpellE>Rwp</span> = 4.87%. You can look at the <span class=SpellE><b
    1914 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2217class=SpellE>Rwp</span> = 5.18%. You can look at the <span class=SpellE><b
     2218style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19152219mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    19162220Calibri;mso-bidi-theme-font:minor-latin'>YAG.lst</span></b></span> output file
     
    19182222I’ve pasted some of my results in below for you to compare.</p>
    19192223
    1920 <p class=MsoNormal><span style='font-family:"Courier New"'>Number of function
    1921 calls: <span class=GramE>9<span style='mso-spacerun:yes'>  </span>Number</span>
    1922 of observations:<span style='mso-spacerun:yes'>  </span>2677<span
    1923 style='mso-spacerun:yes'>  </span>Number of parameters:<span
    1924 style='mso-spacerun:yes'>  </span>20<o:p></o:p></span></p>
    1925 
    1926 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2224<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>Refinement
     2225results:<o:p></o:p></span></p>
     2226
     2227<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
     2228
     2229<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2230style='mso-spacerun:yes'> </span>Number of function calls: <span class=GramE>7<span
     2231style='mso-spacerun:yes'>  </span>Number</span> of observations:<span
     2232style='mso-spacerun:yes'>  </span>2677<span style='mso-spacerun:yes'> 
     2233</span>Number of parameters:<span style='mso-spacerun:yes'>  </span>20<o:p></o:p></span></p>
     2234
     2235<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19272236style='mso-spacerun:yes'> </span>Refinement time =<span
    1928 style='mso-spacerun:yes'>    </span>2.802s,<span style='mso-spacerun:yes'>   
    1929 </span>0.934s/cycle, for 3 cycles<o:p></o:p></span></p>
    1930 
    1931 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2237style='mso-spacerun:yes'>    </span>3.448s,<span style='mso-spacerun:yes'>   
     2238</span>0.862s/cycle, for 4 cycles<o:p></o:p></span></p>
     2239
     2240<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19322241style='mso-spacerun:yes'> </span><span class=SpellE><span class=GramE>wR</span></span>
    1933 =<span style='mso-spacerun:yes'>    </span>4.87%, chi**2 =<span
    1934 style='mso-spacerun:yes'>      </span>8893.61, reduced chi**2 =<span
    1935 style='mso-spacerun:yes'>   </span>3.35<o:p></o:p></span></p>
    1936 
    1937 <p class=MsoNormal><span style='font-family:"Courier New"'>
    1938 <o:p></o:p></span></p>
    1939 
    1940 <p class=MsoNormal><span style='font-family:"Courier New"'>Atoms:<span
    1941 style='mso-spacerun:yes'>                                         </span><span
    1942 style='mso-spacerun:yes'>      </span><o:p></o:p></span></p>
    1943 
    1944 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2242=<span style='mso-spacerun:yes'>    </span>5.18%, chi**2 =<span
     2243style='mso-spacerun:yes'>      </span>10072.9, reduced chi**2 =<span
     2244style='mso-spacerun:yes'>   </span>3.79<o:p></o:p></span></p>
     2245
     2246<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
     2247
     2248<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>Variables
     2249generated by constraints<o:p></o:p></span></p>
     2250
     2251<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2252
     2253<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2254style='mso-spacerun:yes'> </span>name<span style='mso-spacerun:yes'> 
     2255</span>:<span style='mso-spacerun:yes'>     </span>0::AUiso:1<span
     2256style='mso-spacerun:yes'>     </span>0::AUiso:3<span
     2257style='mso-spacerun:yes'>          </span>0::A0<span
     2258style='mso-spacerun:yes'>      </span>::constr0<span
     2259style='mso-spacerun:yes'>      </span>::constr1<o:p></o:p></span></p>
     2260
     2261<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2262style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
     2263style='mso-spacerun:yes'>         </span>0.0035<span
     2264style='mso-spacerun:yes'>        </span>-0.0004<span
     2265style='mso-spacerun:yes'>         </span>0.0067<span
     2266style='mso-spacerun:yes'>        </span>-0.1083<span
     2267style='mso-spacerun:yes'>        </span>-0.2843<o:p></o:p></span></p>
     2268
     2269<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2270style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
     2271style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>        
     2272</span>0.0006<span style='mso-spacerun:yes'>         </span>0.0007<span
     2273style='mso-spacerun:yes'>         </span>0.0000<span
     2274style='mso-spacerun:yes'>         </span>0.0127<span
     2275style='mso-spacerun:yes'>         </span>0.0104<o:p></o:p></span></p>
     2276
     2277<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2278
     2279<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2280style='mso-spacerun:yes'> </span>Phases:<o:p></o:p></span></p>
     2281
     2282<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2283style='mso-spacerun:yes'> </span>Result for phase:<span
     2284style='mso-spacerun:yes'>  </span>garnet<o:p></o:p></span></p>
     2285
     2286<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2287style='mso-spacerun:yes'> </span>Reciprocal metric tensor: <o:p></o:p></span></p>
     2288
     2289<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2290style='mso-spacerun:yes'>  </span><span class=GramE>names :</span><span
     2291style='mso-spacerun:yes'>            </span>A11<span
     2292style='mso-spacerun:yes'>            </span>A22<span
     2293style='mso-spacerun:yes'>            </span>A33<span
     2294style='mso-spacerun:yes'>            </span>A12<span
     2295style='mso-spacerun:yes'>     </span><span
     2296style='mso-spacerun:yes'>       </span>A13<span
     2297style='mso-spacerun:yes'>            </span>A23<o:p></o:p></span></p>
     2298
     2299<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2300style='mso-spacerun:yes'>  </span><span class=GramE>values</span>:<span
     2301style='mso-spacerun:yes'>    </span>0.006738782<span
     2302style='mso-spacerun:yes'>    </span>0.006738782<span
     2303style='mso-spacerun:yes'>    </span>0.006738782<span
     2304style='mso-spacerun:yes'>    </span>0.000000000<span
     2305style='mso-spacerun:yes'>    </span>0.000000000<span
     2306style='mso-spacerun:yes'>    </span>0.000000000<o:p></o:p></span></p>
     2307
     2308<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2309style='mso-spacerun:yes'>  </span><span class=SpellE><span class=GramE>esds</span></span><span
     2310class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
     2311style='mso-spacerun:yes'>    </span>0.000000268<span
     2312style='mso-spacerun:yes'>                                                                          
     2313</span><o:p></o:p></span></p>
     2314
     2315<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2316style='mso-spacerun:yes'> </span>New unit cell:<o:p></o:p></span></p>
     2317
     2318<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2319style='mso-spacerun:yes'>  </span><span class=GramE>names :</span><span
     2320style='mso-spacerun:yes'>           </span>a<span
     2321style='mso-spacerun:yes'>           </span>b<span
     2322style='mso-spacerun:yes'>           </span>c<span
     2323style='mso-spacerun:yes'>       </span>alpha<span
     2324style='mso-spacerun:yes'>        </span>beta<span
     2325style='mso-spacerun:yes'>       </span>gamma<span
     2326style='mso-spacerun:yes'>      </span>Volume<o:p></o:p></span></p>
     2327
     2328<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2329style='mso-spacerun:yes'>  </span><span class=GramE>values</span>:<span
     2330style='mso-spacerun:yes'>   </span>12.181739<span style='mso-spacerun:yes'>  
     2331</span>12.181739<span style='mso-spacerun:yes'>   </span>12.181739<span
     2332style='mso-spacerun:yes'>     </span>90.0000<span style='mso-spacerun:yes'>    
     2333</span>90.0000<span style='mso-spacerun:yes'>     </span>90.0000<span
     2334style='mso-spacerun:yes'>    </span>1807.706<o:p></o:p></span></p>
     2335
     2336<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2337style='mso-spacerun:yes'>  </span><span class=SpellE><span class=GramE>esds</span></span><span
     2338class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
     2339style='mso-spacerun:yes'>    </span>0.000242<span
     2340style='mso-spacerun:yes'>                                               </span><span
     2341style='mso-spacerun:yes'>                    </span>0.036<o:p></o:p></span></p>
     2342
     2343<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2344
     2345<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2346style='mso-spacerun:yes'> </span>Atoms:<o:p></o:p></span></p>
     2347
     2348<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19452349style='mso-spacerun:yes'>   </span><span class=GramE>name</span><span
    19462350style='mso-spacerun:yes'>      </span>x<span style='mso-spacerun:yes'>        
     
    19482352style='mso-spacerun:yes'>      </span><span class=SpellE>frac</span><span
    19492353style='mso-spacerun:yes'>   </span><span class=SpellE>Uiso</span><span
    1950 style='mso-spacerun:yes'>   </span><o:p></o:p></span></p>
    1951 
    1952 <p class=MsoNormal><span style='font-family:"Courier New"'>------------------------------------------------------<o:p></o:p></span></p>
    1953 
    1954 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2354style='mso-spacerun:yes'>     </span>U11<span style='mso-spacerun:yes'>    
     2355</span>U22<span style='mso-spacerun:yes'>     </span>U33<span
     2356style='mso-spacerun:yes'>     </span>U12<span style='mso-spacerun:yes'>    
     2357</span>U13<span style='mso-spacerun:yes'>     </span>U23<o:p></o:p></span></p>
     2358
     2359<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
     2360
     2361<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19552362style='mso-spacerun:yes'>   </span><span class=GramE>Y(</span>1)<span
    1956 style='mso-spacerun:yes'>      </span>Y:<span
    1957 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    1958 
    1959 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2363style='mso-spacerun:yes'>      </span>Y:<o:p></o:p></span></p>
     2364
     2365<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19602366style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    19612367style='mso-spacerun:yes'>   </span>0.12500<span style='mso-spacerun:yes'>  
    19622368</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
    1963 style='mso-spacerun:yes'>   </span>1.000 0.00453<o:p></o:p></span></p>
    1964 
    1965 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2369style='mso-spacerun:yes'>   </span>1.000 0.00442<o:p></o:p></span></p>
     2370
     2371<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19662372style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    19672373style='mso-spacerun:yes'>   </span>:<span
    1968 style='mso-spacerun:yes'>                     </span><span
    1969 style='mso-spacerun:yes'>                  </span>0.00033<o:p></o:p></span></p>
    1970 
    1971 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2374style='mso-spacerun:yes'>                                       </span>0.00035<o:p></o:p></span></p>
     2375
     2376<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19722377style='mso-spacerun:yes'>  </span><span class=GramE>Fe(</span>2)<span
    1973 style='mso-spacerun:yes'>     </span>Fe:<span
    1974 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    1975 
    1976 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2378style='mso-spacerun:yes'>     </span>Fe:<o:p></o:p></span></p>
     2379
     2380<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19772381style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    19782382style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
    19792383</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
    1980 style='mso-spacerun:yes'>   </span>0.575 0.00347<o:p></o:p></span></p>
    1981 
    1982 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2384style='mso-spacerun:yes'>   </span>0.577 0.00347<o:p></o:p></span></p>
     2385
     2386<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19832387style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    19842388style='mso-spacerun:yes'>   </span>:<span
    1985 style='mso-spacerun:yes'>                                 </span>0.008 0.00056<o:p></o:p></span></p>
    1986 
    1987 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2389style='mso-spacerun:yes'>                                 </span>0.009 0.00059<o:p></o:p></span></p>
     2390
     2391<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19882392style='mso-spacerun:yes'>  </span><span class=GramE>Al(</span>3)<span
    1989 style='mso-spacerun:yes'>     </span>Al:<span
    1990 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    1991 
    1992 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2393style='mso-spacerun:yes'>     </span>Al:<o:p></o:p></span></p>
     2394
     2395<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    19932396style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    1994 style='mso-spacerun:yes'>  </span><span
    1995 style='mso-spacerun:yes'> </span>0.00000<span style='mso-spacerun:yes'>  
     2397style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
    19962398</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
    1997 style='mso-spacerun:yes'>   </span>0.425 0.00347<o:p></o:p></span></p>
    1998 
    1999 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2399style='mso-spacerun:yes'>   </span>0.423 0.00347<o:p></o:p></span></p>
     2400
     2401<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20002402style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    20012403style='mso-spacerun:yes'>   </span>:<span
    2002 style='mso-spacerun:yes'>                                 </span>0.008 0.00056<o:p></o:p></span></p>
    2003 
    2004 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2404style='mso-spacerun:yes'>                                 </span>0.009 0.00059<o:p></o:p></span></p>
     2405
     2406<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20052407style='mso-spacerun:yes'>  </span><span class=GramE>Al(</span>4)<span
    2006 style='mso-spacerun:yes'>     </span>Al:<span
    2007 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    2008 
    2009 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2408style='mso-spacerun:yes'>     </span>Al:<o:p></o:p></span></p>
     2409
     2410<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20102411style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    20112412style='mso-spacerun:yes'>   </span>0.37500<span style='mso-spacerun:yes'>  
    20122413</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
    2013 style='mso-spacerun:yes'>   </span>0.702-0.00021<o:p></o:p></span></p>
    2014 
    2015 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2414style='mso-spacerun:yes'>   </span>0.701-0.00041<o:p></o:p></span></p>
     2415
     2416<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20162417style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    20172418style='mso-spacerun:yes'>   </span>:<span
    2018 style='mso-spacerun:yes'>                                 </span>0.007 0.00069<o:p></o:p></span></p>
    2019 
    2020 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2419style='mso-spacerun:yes'>                                 </span>0.007 0.00074<o:p></o:p></span></p>
     2420
     2421<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20212422style='mso-spacerun:yes'>  </span><span class=GramE>Fe(</span>5)<span
    2022 style='mso-spacerun:yes'>     </span>Fe:<span
    2023 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    2024 
    2025 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2423style='mso-spacerun:yes'>     </span>Fe:<o:p></o:p></span></p>
     2424
     2425<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20262426style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    20272427style='mso-spacerun:yes'>   </span>0.37500<span style='mso-spacerun:yes'>  
    20282428</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
    2029 style='mso-spacerun:yes'>   </span>0.298-0.00021<o:p></o:p></span></p>
    2030 
    2031 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2429style='mso-spacerun:yes'>   </span>0.299-0.00041<o:p></o:p></span></p>
     2430
     2431<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20322432style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    20332433style='mso-spacerun:yes'>   </span>:<span
    2034 style='mso-spacerun:yes'>                                 </span>0.007 0.00069<o:p></o:p></span></p>
    2035 
    2036 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2434style='mso-spacerun:yes'>                                 </span>0.007 0.00074<o:p></o:p></span></p>
     2435
     2436<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20372437style='mso-spacerun:yes'>   </span><span class=GramE>O(</span>6)<span
    2038 style='mso-spacerun:yes'>      </span>O:<span
    2039 style='mso-spacerun:yes'>                                       </span><o:p></o:p></span></p>
    2040 
    2041 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2438style='mso-spacerun:yes'>      </span>O:<o:p></o:p></span></p>
     2439
     2440<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20422441style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    2043 style='mso-spacerun:yes'>  </span>-0.02940<span style='mso-spacerun:yes'>  
    2044 </span>0.05391<span style='mso-spacerun:yes'>   </span>0.15061<span
    2045 style='mso-spacerun:yes'>   </span>1.000 0.00496<o:p></o:p></span></p>
    2046 
    2047 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2442style='mso-spacerun:yes'>  </span>-0.02942<span style='mso-spacerun:yes'>  
     2443</span>0.05390<span style='mso-spacerun:yes'>   </span>0.15059<span
     2444style='mso-spacerun:yes'>   </span>1.000 0.00472<o:p></o:p></span></p>
     2445
     2446<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20482447style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    20492448style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
    2050 </span>0.00005<span style='mso-spacerun:yes'>   </span>0.00006<span
    2051 style='mso-spacerun:yes'>   </span>0.00006<span
    2052 style='mso-spacerun:yes'>         </span>0.00025<o:p></o:p></span></p>
    2053 
    2054 <p class=MsoNormal><span style='font-family:"Courier New"'>
    2055 <o:p></o:p></span></p>
    2056 
    2057 <p class=MsoNormal><span style='font-family:"Courier New"'>Sample
    2058 Parameters:<span
    2059 style='mso-spacerun:yes'>                                                             
    2060 </span><o:p></o:p></span></p>
    2061 
    2062 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2449</span>0.00006<span style='mso-spacerun:yes'>   </span>0.00006<span
     2450style='mso-spacerun:yes'>   </span>0.00007<span
     2451style='mso-spacerun:yes'>         </span>0.00027<o:p></o:p></span></p>
     2452
     2453<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2454
     2455<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2456style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'>  </span><span
     2457class=GramE>garnet<span style='mso-spacerun:yes'>  </span>in</span>
     2458histogram:<span style='mso-spacerun:yes'>  </span>PWDR <span class=SpellE>garnet.raw</span>
     2459Bank 1<o:p></o:p></span></p>
     2460
     2461<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
     2462
     2463<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2464style='mso-spacerun:yes'> </span>Final refinement RF, RF^2 = 2.27%, 3.70% on 89
     2465reflections<o:p></o:p></span></p>
     2466
     2467<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2468style='mso-spacerun:yes'> </span>Bragg intensity sum = 2.74e+05<o:p></o:p></span></p>
     2469
     2470<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2471
     2472<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2473style='mso-spacerun:yes'> </span>Histogram:<span style='mso-spacerun:yes'> 
     2474</span>PWDR <span class=SpellE>garnet.raw</span> Bank <span class=GramE>1<span
     2475style='mso-spacerun:yes'>  </span>histogram</span> Id:<span
     2476style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></p>
     2477
     2478<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
     2479
     2480<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2481style='mso-spacerun:yes'> </span>PWDR histogram weight factor = 1.000<o:p></o:p></span></p>
     2482
     2483<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2484style='mso-spacerun:yes'> </span>Final refinement <span class=SpellE>wR</span>
     2485= 5.18% on 2677 observations in this histogram<o:p></o:p></span></p>
     2486
     2487<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2488style='mso-spacerun:yes'> </span>Other residuals: R = 4.22%, <span
     2489class=SpellE>Rb</span> = 3.40%, <span class=SpellE>wRb</span> = 3.55% <span
     2490class=SpellE>wRmin</span> = 2.67%<o:p></o:p></span></p>
     2491
     2492<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2493style='mso-spacerun:yes'> </span>Instrument type:<span
     2494style='mso-spacerun:yes'>  </span>Debye-<span class=SpellE>Scherrer</span><o:p></o:p></span></p>
     2495
     2496<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2497
     2498<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2499style='mso-spacerun:yes'> </span>Sample Parameters:<o:p></o:p></span></p>
     2500
     2501<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20632502style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
    20642503style='mso-spacerun:yes'>         </span>Scale<span
    20652504style='mso-spacerun:yes'>    </span>Absorption<span
    20662505style='mso-spacerun:yes'>     </span><span class=SpellE>DisplaceX</span><span
    2067 style='mso-spacerun:yes'>     </span><span class=SpellE>DisplaceY</span><span
    2068 style='mso-spacerun:yes'>                 </span><o:p></o:p></span></p>
    2069 
    2070 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2506style='mso-spacerun:yes'>     </span><span class=SpellE>DisplaceY</span><o:p></o:p></span></p>
     2507
     2508<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20712509style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
    2072 style='mso-spacerun:yes'>      </span>609.7746<span
     2510style='mso-spacerun:yes'>      </span>612.9203<span
    20732511style='mso-spacerun:yes'>        </span>0.0000<span
    2074 style='mso-spacerun:yes'>     </span>1759.4498<span
    2075 style='mso-spacerun:yes'>    </span>-2244.2982<span
    2076 style='mso-spacerun:yes'>                 </span><o:p></o:p></span></p>
    2077 
    2078 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2512style='mso-spacerun:yes'>     </span>1242.4926<span
     2513style='mso-spacerun:yes'>    </span>-2837.8867<o:p></o:p></span></p>
     2514
     2515<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20792516style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    20802517style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>       
    2081 </span>3.2463<span style='mso-spacerun:yes'>                    
    2082 </span>50.3991<span style='mso-spacerun:yes'>      </span>110.1830<span
    2083 style='mso-spacerun:yes'>                 </span><o:p></o:p></span></p>
    2084 
    2085 <p class=MsoNormal><span style='font-family:"Courier New"'><span
    2086 style='mso-spacerun:yes'>                                                                                
    2087 </span><o:p></o:p></span></p>
    2088 
    2089 <p class=MsoNormal><span style='font-family:"Courier New"'><span
    2090 style='mso-spacerun:yes'> </span>Instrument Parameters:<span
    2091 style='mso-spacerun:yes'>                                                         
    2092 </span><o:p></o:p></span></p>
    2093 
    2094 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2518</span>3.4719<span style='mso-spacerun:yes'>                    
     2519</span>53.7322<span style='mso-spacerun:yes'>      </span>117.5487<o:p></o:p></span></p>
     2520
     2521<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2522
     2523<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2524style='mso-spacerun:yes'> </span>Instrument Parameters:<o:p></o:p></span></p>
     2525
     2526<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    20952527style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
    2096 style='mso-spacerun:yes'>         </span>Lam<span
    2097 style='mso-spacerun:yes'>        </span>Zero<span style='mso-spacerun:yes'>   
    2098 </span><span class=SpellE>Polariz</span>.<span
    2099 style='mso-spacerun:yes'>           </span>U<span
     2528style='mso-spacerun:yes'>         </span>Lam<span style='mso-spacerun:yes'>   
     2529</span><span class=SpellE>Polariz</span>.<span style='mso-spacerun:yes'>       
     2530</span>SH/L<span style='mso-spacerun:yes'>           </span>U<span
    21002531style='mso-spacerun:yes'>           </span>V<span
    2101 style='mso-spacerun:yes'>           </span>W <o:p></o:p></span></p>
    2102 
    2103 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2532style='mso-spacerun:yes'>           </span>W<span
     2533style='mso-spacerun:yes'>           </span>X<o:p></o:p></span></p>
     2534
     2535<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    21042536style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
    2105 style='mso-spacerun:yes'>    </span>1.909000<span style='mso-spacerun:yes'>  
    2106 </span>-0.084918<span style='mso-spacerun:yes'>    </span>0.000000<span
    2107 style='mso-spacerun:yes'>  </span>266.108676 -655.916341<span
    2108 style='mso-spacerun:yes'>  </span>585.853296 <o:p></o:p></span></p>
    2109 
    2110 <p class=MsoNormal><span style='font-family:"Courier New"'><span
     2537style='mso-spacerun:yes'>    </span>1.909000<span style='mso-spacerun:yes'>   
     2538</span>0.000000<span style='mso-spacerun:yes'>    </span>0.002000<span
     2539style='mso-spacerun:yes'>  </span>258.609371 -645.406449<span
     2540style='mso-spacerun:yes'>  </span>572.149553<span style='mso-spacerun:yes'>   
     2541</span>0.000000<o:p></o:p></span></p>
     2542
     2543<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
    21112544style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
    21122545style='mso-spacerun:yes'>   </span>:<span
    2113 style='mso-spacerun:yes'>                </span>0.005611<span
    2114 style='mso-spacerun:yes'>                </span>3.981181<span
    2115 style='mso-spacerun:yes'>    </span>9.537597<span style='mso-spacerun:yes'>   
    2116 </span>5.489050 <o:p></o:p></span></p>
     2546style='mso-spacerun:yes'>                                       
     2547</span>4.221864<span style='mso-spacerun:yes'>   </span>10.112266<span
     2548style='mso-spacerun:yes'>    </span>5.820126<span
     2549style='mso-spacerun:yes'>            </span><o:p></o:p></span></p>
     2550
     2551<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2552
     2553<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2554style='mso-spacerun:yes'> </span>Instrument Parameters:<o:p></o:p></span></p>
     2555
     2556<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2557style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
     2558style='mso-spacerun:yes'>           </span>Y<span
     2559style='mso-spacerun:yes'>        </span>Zero<o:p></o:p></span></p>
     2560
     2561<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2562style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
     2563style='mso-spacerun:yes'>    </span>0.000000<span style='mso-spacerun:yes'>  
     2564</span>-0.129218<o:p></o:p></span></p>
     2565
     2566<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2567style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
     2568style='mso-spacerun:yes'>   </span>:<span
     2569style='mso-spacerun:yes'>                </span>0.005984<o:p></o:p></span></p>
     2570
     2571<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
     2572
     2573<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2574style='mso-spacerun:yes'> </span>Background function:<span
     2575style='mso-spacerun:yes'>  </span><span class=SpellE>chebyschev</span><o:p></o:p></span></p>
     2576
     2577<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2578style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
     2579style='mso-spacerun:yes'>      </span>121.3<span style='mso-spacerun:yes'>   
     2580</span>-27.19<span style='mso-spacerun:yes'>     </span>27.04<o:p></o:p></span></p>
     2581
     2582<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2583style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
     2584style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>    
     2585</span>0.2834<span style='mso-spacerun:yes'>     </span>0.537<span
     2586style='mso-spacerun:yes'>    </span>0.9925<o:p></o:p></span></p>
     2587
     2588<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
     2589style='mso-spacerun:yes'> </span>Background sums: empirical 2.41e+04, Debye 0,
     2590peaks 0, Total 2.41e+04<o:p></o:p></span></p>
    21172591
    21182592<p class=MsoNormal>A useful display to examine is given by selecting <b
    2119 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2593style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    21202594mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
    21212595Calibri;mso-bidi-theme-font:minor-latin'>Covariance</span></b> in the GSAS-II
     
    21232597
    21242598<p class=MsoNormal><span style='font-family:"Courier New";mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2125  id="Picture_x0020_23" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
    2126  height:450pt;visibility:visible;mso-wrap-style:square'>
    2127  <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image021.png" o:title=""/>
    2128 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
    2129 src="Neutron%20CW%20Powder%20Data_files/image021.png" v:shapes="Picture_x0020_23"><![endif]></span><span
     2599 id="Picture_x0020_43" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
     2600 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     2601 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image022.png" o:title=""/>
     2602</v:shape><![endif]--><![if !vml]><img width=700 height=535
     2603src="Neutron%20CW%20Powder%20Data_files/image022.png" v:shapes="Picture_x0020_43"><![endif]></span><span
    21302604style='font-family:"Courier New"'><o:p></o:p></span></p>
    21312605
    21322606<p class=MsoNormal>This is a graphical rendering of the variance-covariance
    2133 matrix from the last refinement. This matrix is symmetric about the diagonal;
    2134 moving your cursor about it will display parameter names, values and <span
     2607matrix from the last refinement. This matrix is symmetric about the diagonal; moving
     2608your cursor about it will display parameter names, values and <span
    21352609class=SpellE>esds</span> on the diagonal and the covariance between a pair of
    21362610parameters off the diagonal. Intense red or green indicates high covariance
     
    21392613for background parameters. You can change the color scheme, the default is <span
    21402614class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    2141 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2615"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    21422616minor-latin'>RdYlGn</span></b></span>. If during the course of one of your
    21432617refinements you see white bands in this display: that is the signature of some
  • Tutorials/CWNeutron/Neutron CW Powder Data_files/filelist.xml

    r1705 r1736  
    2424 <o:File HRef="image020.png"/>
    2525 <o:File HRef="image021.png"/>
     26 <o:File HRef="image022.png"/>
    2627 <o:File HRef="filelist.xml"/>
    2728</xml>
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