Ignore:
Timestamp:
Mar 20, 2015 8:49:59 AM (8 years ago)
Author:
vondreele
Message:

changes to various tutorials - mostly getting file references correct & removing hyperlinks

File:
1 edited

Legend:

Unmodified
Added
Removed

  • Tutorials/SeqParametric/ParametricFitting.htm

    r1705 r1745  
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     134  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     135   UnhideWhenUsed="true" Name="toc 3"/>
     136  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     137   UnhideWhenUsed="true" Name="toc 4"/>
     138  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     139   UnhideWhenUsed="true" Name="toc 5"/>
     140  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     141   UnhideWhenUsed="true" Name="toc 6"/>
     142  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     143   UnhideWhenUsed="true" Name="toc 7"/>
     144  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     145   UnhideWhenUsed="true" Name="toc 8"/>
     146  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
     147   UnhideWhenUsed="true" Name="toc 9"/>
     148  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     149   Name="Normal Indent"/>
     150  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     151   Name="footnote text"/>
     152  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     153   Name="annotation text"/>
     154  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     155   Name="header"/>
     156  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     157   Name="footer"/>
     158  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     159   Name="index heading"/>
     160  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
     161   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
     162  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     163   Name="table of figures"/>
     164  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     165   Name="envelope address"/>
     166  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     167   Name="envelope return"/>
     168  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     169   Name="footnote reference"/>
     170  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     171   Name="annotation reference"/>
     172  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     173   Name="line number"/>
     174  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     175   Name="page number"/>
     176  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     177   Name="endnote reference"/>
     178  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     179   Name="endnote text"/>
     180  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     181   Name="table of authorities"/>
     182  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     183   Name="macro"/>
     184  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     185   Name="toa heading"/>
     186  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     187   Name="List"/>
     188  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     189   Name="List Bullet"/>
     190  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     191   Name="List Number"/>
     192  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     193   Name="List 2"/>
     194  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     195   Name="List 3"/>
     196  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     197   Name="List 4"/>
     198  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     199   Name="List 5"/>
     200  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     201   Name="List Bullet 2"/>
     202  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     203   Name="List Bullet 3"/>
     204  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     205   Name="List Bullet 4"/>
     206  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     207   Name="List Bullet 5"/>
     208  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     209   Name="List Number 2"/>
     210  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     211   Name="List Number 3"/>
     212  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     213   Name="List Number 4"/>
     214  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     215   Name="List Number 5"/>
     216  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
     217  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     218   Name="Closing"/>
     219  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     220   Name="Signature"/>
     221  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
     222   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
     223  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     224   Name="Body Text"/>
     225  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     226   Name="Body Text Indent"/>
     227  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     228   Name="List Continue"/>
     229  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     230   Name="List Continue 2"/>
     231  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     232   Name="List Continue 3"/>
     233  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     234   Name="List Continue 4"/>
     235  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     236   Name="List Continue 5"/>
     237  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     238   Name="Message Header"/>
     239  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
     240  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     241   Name="Salutation"/>
     242  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     243   Name="Date"/>
     244  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     245   Name="Body Text First Indent"/>
     246  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     247   Name="Body Text First Indent 2"/>
     248  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     249   Name="Note Heading"/>
     250  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     251   Name="Body Text 2"/>
     252  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     253   Name="Body Text 3"/>
     254  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     255   Name="Body Text Indent 2"/>
     256  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     257   Name="Body Text Indent 3"/>
     258  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     259   Name="Block Text"/>
     260  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     261   Name="Hyperlink"/>
     262  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     263   Name="FollowedHyperlink"/>
     264  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
     265  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
     266  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     267   Name="Document Map"/>
     268  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     269   Name="Plain Text"/>
     270  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     271   Name="E-mail Signature"/>
     272  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     273   Name="HTML Top of Form"/>
     274  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     275   Name="HTML Bottom of Form"/>
     276  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     277   Name="Normal (Web)"/>
     278  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     279   Name="HTML Acronym"/>
     280  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     281   Name="HTML Address"/>
     282  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     283   Name="HTML Cite"/>
     284  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     285   Name="HTML Code"/>
     286  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     287   Name="HTML Definition"/>
     288  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     289   Name="HTML Keyboard"/>
     290  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     291   Name="HTML Preformatted"/>
     292  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     293   Name="HTML Sample"/>
     294  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     295   Name="HTML Typewriter"/>
     296  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     297   Name="HTML Variable"/>
     298  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     299   Name="Normal Table"/>
     300  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     301   Name="annotation subject"/>
     302  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     303   Name="No List"/>
     304  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     305   Name="Outline List 1"/>
     306  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     307   Name="Outline List 2"/>
     308  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     309   Name="Outline List 3"/>
     310  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     311   Name="Table Simple 1"/>
     312  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     313   Name="Table Simple 2"/>
     314  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     315   Name="Table Simple 3"/>
     316  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     317   Name="Table Classic 1"/>
     318  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     319   Name="Table Classic 2"/>
     320  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     321   Name="Table Classic 3"/>
     322  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     323   Name="Table Classic 4"/>
     324  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     325   Name="Table Colorful 1"/>
     326  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     327   Name="Table Colorful 2"/>
     328  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     329   Name="Table Colorful 3"/>
     330  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     331   Name="Table Columns 1"/>
     332  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     333   Name="Table Columns 2"/>
     334  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     335   Name="Table Columns 3"/>
     336  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     337   Name="Table Columns 4"/>
     338  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     339   Name="Table Columns 5"/>
     340  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     341   Name="Table Grid 1"/>
     342  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     343   Name="Table Grid 2"/>
     344  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     345   Name="Table Grid 3"/>
     346  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     347   Name="Table Grid 4"/>
     348  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     349   Name="Table Grid 5"/>
     350  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     351   Name="Table Grid 6"/>
     352  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     353   Name="Table Grid 7"/>
     354  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     355   Name="Table Grid 8"/>
     356  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     357   Name="Table List 1"/>
     358  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     359   Name="Table List 2"/>
     360  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     361   Name="Table List 3"/>
     362  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     363   Name="Table List 4"/>
     364  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     365   Name="Table List 5"/>
     366  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     367   Name="Table List 6"/>
     368  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     369   Name="Table List 7"/>
     370  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     371   Name="Table List 8"/>
     372  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     373   Name="Table 3D effects 1"/>
     374  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     375   Name="Table 3D effects 2"/>
     376  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     377   Name="Table 3D effects 3"/>
     378  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     379   Name="Table Contemporary"/>
     380  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     381   Name="Table Elegant"/>
     382  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     383   Name="Table Professional"/>
     384  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     385   Name="Table Subtle 1"/>
     386  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     387   Name="Table Subtle 2"/>
     388  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     389   Name="Table Web 1"/>
     390  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     391   Name="Table Web 2"/>
     392  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     393   Name="Table Web 3"/>
     394  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     395   Name="Balloon Text"/>
     396  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
     397  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
     398   Name="Table Theme"/>
     399  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
     400  <w:LsdException Locked="false" Priority="1" SemiHidden="true" QFormat="true"
     401   Name="No Spacing"/>
     402  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
     403  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
     404  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
     405  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
     406  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
     407  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
     408  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
     409  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
     410  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
     411  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
     412  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
     413  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
     414  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
     415  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
     416  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
     417  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
     418  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
     419  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
     420  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
     421  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
     422  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
     423  <w:LsdException Locked="false" Priority="34" QFormat="true"
     424   Name="List Paragraph"/>
     425  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
     426  <w:LsdException Locked="false" Priority="30" QFormat="true"
     427   Name="Intense Quote"/>
     428  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
     429  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
     430  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
     431  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
     432  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
     433  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
     434  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
     435  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
     436  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
     437  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
     438  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
     439  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
     440  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
     441  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
     442  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
     443  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
     444  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
     445  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
     446  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
     447  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
     448  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
     449  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
     450  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
     451  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
     452  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
     453  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
     454  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
     455  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
     456  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
     457  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
     458  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
     459  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
     460  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
     461  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
     462  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
     463  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
     464  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
     465  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
     466  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
     467  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
     468  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
     469  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
     470  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
     471  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
     472  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
     473  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
     474  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
     475  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
     476  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
     477  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
     478  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
     479  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
     480  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
     481  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
     482  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
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    9391258<p class=MsoNormal>Once a sequential fit has been performed, any function of
    9401259the fit parameters from the fit and <i style='mso-bidi-font-style:normal'>their
    941 estimated uncertainty</i> (s.u.) can be computed by defining one or more
    942 &quot;pseudo-variables&quot;. Note that the covariance matrix from the fit is
    943 used to provide appropriate treatment of the correlation in parameters with
    944 respect to uncertainty estimation.<span style='mso-spacerun:yes'>  </span>In
    945 addition, parametric equations in terms of sample parameters such as
    946 temperature and pressure, etc. can be fit to either the parameters from the fit
    947 or the pseudo-variables. </p>
     1260estimated uncertainty</i> (<span class=SpellE>s.u</span>.) can be computed by
     1261defining one or more &quot;pseudo-variables&quot;. Note that the covariance
     1262matrix from the fit is used to provide appropriate treatment of the correlation
     1263in parameters with respect to uncertainty estimation.<span
     1264style='mso-spacerun:yes'>  </span>In addition, parametric equations in terms of
     1265sample parameters such as temperature and pressure, etc. can be fit to either
     1266the parameters from the fit or the pseudo-variables. </p>
    9481267
    9491268<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    9501269
    951 <p class=MsoNormal>This tutorial assumes that the steps in the <span
    952 style='mso-bidi-font-family:"Times New Roman"'><a href="SequentialTutorial.htm">Sequential
    953 refinement of multiple datasets</a> tutorial have already been performed. </span>If
    954 you have not done so already, <a href="Starting%20GSAS.htm">start GSAS-II</a>.
    955 Some of the pictures in this tutorial are from a Mac OSX machine; these
    956 illustrate the differences in menu location from Windows/Linux machines.</p>
     1270<p class=MsoNormal>This tutorial assumes that the steps in the <b
     1271style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1272mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin;mso-bidi-font-family:
     1273"Times New Roman"'>Sequential refinement of multiple datasets</span></b><span
     1274style='mso-bidi-font-family:"Times New Roman"'> tutorial have already been
     1275performed. </span>If you have not done so already, start GSAS-II. Some of the
     1276pictures in this tutorial are from a Mac OSX machine; these illustrate the
     1277differences in menu location from Windows/Linux machines.</p>
    9571278
    9581279<h1>Step 1. Open the previous Sequential Fit</h1>
    … …  
    9651286style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    9661287</span></span></span><![endif]>Select the<b style='mso-bidi-font-weight:normal'>
    967 </b><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1288</b><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    9681289mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>File/Open
    969 Project</span></b> menu item to load file named <b style='mso-bidi-font-weight:
    970 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    971 major-latin;mso-hansi-theme-font:major-latin'>SeqTut.gpx</span></b>. </p>
     1290Project</span></b> menu item to load file named <span class=SpellE><b
     1291style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1292mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>SeqTut.gpx</span></b></span>
     1293you created in the previous tutorial.</p>
    9721294
    9731295<p class=MsoListParagraphCxSpMiddle style='margin-bottom:6.0pt;mso-add-space:
    … …  
    9761298style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    9771299</span></span></span><![endif]>Select the <b style='mso-bidi-font-weight:normal'><span
    978 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1300style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    9791301mso-hansi-theme-font:major-latin'>Sequential results</span></b> item in the
    9801302data tree. The sequential refinement results data table is displayed, as below.
    … …  
    10051327 style='width:525pt;height:262.5pt;visibility:visible;mso-wrap-style:square'>
    10061328 <v:imagedata src="ParametricFitting_files/image001.png" o:title=""/>
    1007 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=350
    1008 src="ParametricFitting_files/image001.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
     1329</v:shape><![endif]--><![if !vml]><img width=700 height=350
     1330src="ParametricFitting_files/image002.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
    10091331
    10101332<h1>Step 2. Create a Pseudo Variable</h1>
    … …  
    10281350style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    10291351</span></span></span><![endif]>Click on the <b style='mso-bidi-font-weight:
    1030 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1031 major-latin;mso-hansi-theme-font:major-latin'>Pseudo Vars/Add</span></b> menu
    1032 item to create a new pseudo-variable.</p>
     1352normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1353major-latin;mso-hansi-theme-font:major-latin'>Pseudo <span class=SpellE>Vars</span>/Add</span></b>
     1354menu item to create a new pseudo-variable.</p>
    10331355
    10341356<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    10381360 type="#_x0000_t75" style='width:159pt;height:45.75pt;visibility:visible;
    10391361 mso-wrap-style:square'>
    1040  <v:imagedata src="ParametricFitting_files/image002.png" o:title=""/>
    1041 </v:shape><![endif]--><![if !vml]><img border=0 width=212 height=61
    1042 src="ParametricFitting_files/image003.jpg" v:shapes="Picture_x0020_2"><![endif]></span></p>
     1362 <v:imagedata src="ParametricFitting_files/image003.png" o:title=""/>
     1363</v:shape><![endif]--><![if !vml]><img width=212 height=61
     1364src="ParametricFitting_files/image004.jpg" v:shapes="Picture_x0020_2"><![endif]></span></p>
    10431365
    10441366<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    10551377 type="#_x0000_t75" style='width:309.75pt;height:152.25pt;visibility:visible;
    10561378 mso-wrap-style:square'>
    1057  <v:imagedata src="ParametricFitting_files/image004.png" o:title="" croptop="4214f"
     1379 <v:imagedata src="ParametricFitting_files/image005.png" o:title="" croptop="4214f"
    10581380  cropbottom="8982f" cropleft="3852f" cropright="3654f"/>
    1059 </v:shape><![endif]--><![if !vml]><img border=0 width=413 height=203
    1060 src="ParametricFitting_files/image005.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
     1381</v:shape><![endif]--><![if !vml]><img width=413 height=203
     1382src="ParametricFitting_files/image006.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
    10611383
    10621384<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    10721394 mso-position-vertical-relative:margin;mso-width-percent:0;
    10731395 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    1074  <v:imagedata src="ParametricFitting_files/image006.png" o:title=""/>
     1396 <v:imagedata src="ParametricFitting_files/image007.png" o:title=""/>
    10751397 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    10761398</v:shape><![endif]--><![if !vml]><img width=306 height=115
    1077 src="ParametricFitting_files/image007.jpg" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>In
     1399src="ParametricFitting_files/image008.jpg" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>In
    10781400this window, type a Python expression<b style='mso-bidi-font-weight:normal'>, </b><span
    10791401style='mso-bidi-font-family:"Times New Roman"'>&quot;</span><b
    1080 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1402style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    10811403mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin;mso-bidi-font-family:
    10821404"Times New Roman"'>b/c</span></b><span style='mso-bidi-font-family:"Times New Roman"'>&quot;,</span>
    10831405but note that the variables <b style='mso-bidi-font-weight:normal'><span
    1084 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1406style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    10851407mso-hansi-theme-font:major-latin'>c</span></b> and <b style='mso-bidi-font-weight:
    1086 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1408normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    10871409major-latin;mso-hansi-theme-font:major-latin'>b</span></b> here are arbitrary
    10881410labels. After entering the formula, press the <b style='mso-bidi-font-weight:
    1089 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1411normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    10901412major-latin;mso-hansi-theme-font:major-latin'>Validate</span></b> button or
    1091 wait a few seconds and the validation will be tested automatically. Note that if
    1092 you pause too long, while typing, an error message may be displayed as the
     1413wait a few seconds and the validation will be tested automatically. Note that
     1414if you pause too long, while typing, an error message may be displayed as the
    10931415incomplete formula is found to be invalid. If so, make corrections or keep
    10941416typing until the entire expression is entered.<span style='mso-spacerun:yes'> 
    … …  
    11001422<p class=MsoListParagraphCxSpMiddle>When the expression is complete, a new
    11011423table appears where the arbitrary <b style='mso-bidi-font-weight:normal'><span
    1102 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1424style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    11031425mso-hansi-theme-font:major-latin'>c</span></b> and <b style='mso-bidi-font-weight:
    1104 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1426normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    11051427major-latin;mso-hansi-theme-font:major-latin'>b</span></b> labels will be
    11061428assigned.</p>
    … …  
    11121434 type="#_x0000_t75" style='width:309.75pt;height:152.25pt;visibility:visible;
    11131435 mso-wrap-style:square'>
    1114  <v:imagedata src="ParametricFitting_files/image008.png" o:title="" croptop="4435f"
     1436 <v:imagedata src="ParametricFitting_files/image009.png" o:title="" croptop="4435f"
    11151437  cropbottom="8537f" cropleft="3852f" cropright="3650f"/>
    1116 </v:shape><![endif]--><![if !vml]><img border=0 width=413 height=203
    1117 src="ParametricFitting_files/image009.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
     1438</v:shape><![endif]--><![if !vml]><img width=413 height=203
     1439src="ParametricFitting_files/image010.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
    11181440
    11191441<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    11321454 mso-position-vertical-relative:margin;mso-width-percent:0;
    11331455 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    1134  <v:imagedata src="ParametricFitting_files/image010.png" o:title=""/>
     1456 <v:imagedata src="ParametricFitting_files/image011.png" o:title=""/>
    11351457 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    11361458</v:shape><![endif]--><![if !vml]><img width=118 height=87
    1137 src="ParametricFitting_files/image011.jpg" align=right hspace=12 v:shapes="Picture_x0020_6"><![endif]>Assign
     1459src="ParametricFitting_files/image012.jpg" align=right hspace=12 v:shapes="Picture_x0020_6"><![endif]>Assign
    11381460the label for the numerator by clicking on the menu button next to label <b
    1139 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1461style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11401462mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>;
    11411463this will bring up a list of variable types, from this select <b
    1142 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1464style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11431465mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase</span></b>
    11441466to bring up a list of phase variables, from that list select variable <b
    1145 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1467style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11461468mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>0::b</span></b>,
    11471469which is the <i style='mso-bidi-font-style:normal'>b</i> lattice parameter for
    11481470phase 0 (CuCr<sub>2</sub>O<sub>4</sub>). Repeat this process to select assign
    1149 to label <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1471to label <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11501472mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>c</span></b>
    1151 variable <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1473variable <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11521474mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>0::b</span></b>.</p>
    11531475
    … …  
    11581480 type="#_x0000_t75" style='width:315.75pt;height:129pt;visibility:visible;
    11591481 mso-wrap-style:square'>
    1160  <v:imagedata src="ParametricFitting_files/image012.png" o:title="" croptop="4597f"
     1482 <v:imagedata src="ParametricFitting_files/image013.png" o:title="" croptop="4597f"
    11611483  cropbottom="9873f" cropleft="3348f" cropright="3506f"/>
    1162 </v:shape><![endif]--><![if !vml]><img border=0 width=421 height=172
    1163 src="ParametricFitting_files/image013.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     1484</v:shape><![endif]--><![if !vml]><img width=421 height=172
     1485src="ParametricFitting_files/image014.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    11641486
    11651487<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    11691491can be evaluated, the value for the expression, evaluated for that first
    11701492refinement. Only when the expression can be evaluated can the <b
    1171 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1493style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11721494mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>
    11731495button be pressed. </p>
    … …  
    11791501 type="#_x0000_t75" style='width:314.25pt;height:153.75pt;visibility:visible;
    11801502 mso-wrap-style:square'>
    1181  <v:imagedata src="ParametricFitting_files/image014.png" o:title="" croptop="3770f"
     1503 <v:imagedata src="ParametricFitting_files/image015.png" o:title="" croptop="3770f"
    11821504  cropbottom="8549f" cropleft="3371f" cropright="3424f"/>
    1183 </v:shape><![endif]--><![if !vml]><img border=0 width=419 height=205
    1184 src="ParametricFitting_files/image015.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
     1505</v:shape><![endif]--><![if !vml]><img width=419 height=205
     1506src="ParametricFitting_files/image016.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
    11851507
    11861508<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    11871509
    11881510<p class=MsoListParagraphCxSpMiddle>Press<b style='mso-bidi-font-weight:normal'>
    1189 </b><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1511</b><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    11901512mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>
    11911513to close the window and add the pseudo-variable. Note that a new column appears
    … …  
    11981520 type="#_x0000_t75" style='width:354pt;height:180.75pt;visibility:visible;
    11991521 mso-wrap-style:square'>
    1200  <v:imagedata src="ParametricFitting_files/image016.png" o:title=""/>
    1201 </v:shape><![endif]--><![if !vml]><img border=0 width=472 height=241
    1202 src="ParametricFitting_files/image016.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     1522 <v:imagedata src="ParametricFitting_files/image017.png" o:title=""/>
     1523</v:shape><![endif]--><![if !vml]><img width=472 height=241
     1524src="ParametricFitting_files/image018.jpg" v:shapes="Picture_x0020_10"><![endif]></span></p>
    12031525
    12041526<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_11"
    … …  
    12121534 mso-position-vertical-relative:margin;mso-width-percent:0;
    12131535 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    1214  <v:imagedata src="ParametricFitting_files/image018.png" o:title=""/>
     1536 <v:imagedata src="ParametricFitting_files/image019.png" o:title=""/>
    12151537 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    12161538</v:shape><![endif]--><![if !vml]><img width=125 height=52
    1217 src="ParametricFitting_files/image019.jpg" align=right hspace=12 v:shapes="Picture_x0020_11"><![endif]>Also
     1539src="ParametricFitting_files/image020.jpg" align=right hspace=12 v:shapes="Picture_x0020_11"><![endif]>Also
    12181540note that positioning the mouse above any cell in the table and waiting for a
    1219 few seconds causes the s.u. to be shown as a tooltip. </p>
     1541few seconds causes the <span class=SpellE>s.u</span>. to be shown as a tooltip.
     1542</p>
    12201543
    12211544<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    12221545
    12231546<p class=MsoListParagraphCxSpMiddle>Double clicking on the <b style='mso-bidi-font-weight:
    1224 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1547normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    12251548major-latin;mso-hansi-theme-font:major-latin'>b/c</span></b> column will cause
    12261549the pseudo-variable to be plotted:</p>
    … …  
    12321555 type="#_x0000_t75" style='width:351.75pt;height:303pt;visibility:visible;
    12331556 mso-wrap-style:square'>
    1234  <v:imagedata src="ParametricFitting_files/image020.png" o:title=""/>
    1235 </v:shape><![endif]--><![if !vml]><img border=0 width=469 height=404
    1236 src="ParametricFitting_files/image020.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
     1557 <v:imagedata src="ParametricFitting_files/image021.png" o:title=""/>
     1558</v:shape><![endif]--><![if !vml]><img width=469 height=404
     1559src="ParametricFitting_files/image022.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
    12371560
    12381561<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    12391562
    12401563<p class=MsoListParagraphCxSpMiddle>Press the &quot;<b style='mso-bidi-font-weight:
    1241 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1564normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    12421565major-latin;mso-hansi-theme-font:major-latin'>s</span></b>&quot; key inside the
    12431566plot to select<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
    1244 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1567normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    12451568major-latin;mso-hansi-theme-font:major-latin'>Temperature</span></b> as the
    12461569x-axis. </p>
    … …  
    12521575 type="#_x0000_t75" style='width:162.75pt;height:156pt;visibility:visible;
    12531576 mso-wrap-style:square'>
    1254  <v:imagedata src="ParametricFitting_files/image022.png" o:title="" croptop="4105f"
     1577 <v:imagedata src="ParametricFitting_files/image023.png" o:title="" croptop="4105f"
    12551578  cropbottom="8920f" cropleft="6109f" cropright="5911f"/>
    1256 </v:shape><![endif]--><![if !vml]><img border=0 width=217 height=208
    1257 src="ParametricFitting_files/image023.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
     1579</v:shape><![endif]--><![if !vml]><img width=217 height=208
     1580src="ParametricFitting_files/image024.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
    12581581
    12591582<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    12671590 type="#_x0000_t75" style='width:353.25pt;height:303.75pt;visibility:visible;
    12681591 mso-wrap-style:square'>
    1269  <v:imagedata src="ParametricFitting_files/image024.png" o:title=""/>
    1270 </v:shape><![endif]--><![if !vml]><img border=0 width=471 height=405
    1271 src="ParametricFitting_files/image024.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
     1592 <v:imagedata src="ParametricFitting_files/image025.png" o:title=""/>
     1593</v:shape><![endif]--><![if !vml]><img width=471 height=405
     1594src="ParametricFitting_files/image026.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
    12721595
    12731596<h1>Step 3: Fitting a simple parametric equation to the unit cell volume</h1>
    … …  
    12781601equations of state to different parameters. As a simple example, we can
    12791602double-click on<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
    1280 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1603normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    12811604major-latin;mso-hansi-theme-font:major-latin'>0::Vol</span></b>, to plot the
    12821605unit volume for the first phase vs. T, and fit this to a straight line.<span
    … …  
    12891612 type="#_x0000_t75" style='width:356.25pt;height:305.25pt;visibility:visible;
    12901613 mso-wrap-style:square'>
    1291  <v:imagedata src="ParametricFitting_files/image026.png" o:title=""/>
    1292 </v:shape><![endif]--><![if !vml]><img border=0 width=475 height=407
    1293 src="ParametricFitting_files/image026.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1614 <v:imagedata src="ParametricFitting_files/image027.png" o:title=""/>
     1615</v:shape><![endif]--><![if !vml]><img width=475 height=407
     1616src="ParametricFitting_files/image028.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
    12941617
    12951618<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
    … …  
    13061629 mso-position-vertical-relative:margin;mso-width-percent:0;
    13071630 mso-height-percent:0;mso-width-relative:margin;mso-height-relative:margin'>
    1308  <v:imagedata src="ParametricFitting_files/image028.png" o:title=""/>
     1631 <v:imagedata src="ParametricFitting_files/image029.png" o:title=""/>
    13091632 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    13101633</v:shape><![endif]--><![if !vml]><img width=97 height=71
    1311 src="ParametricFitting_files/image029.jpg" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>Click
    1312 on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1634src="ParametricFitting_files/image030.jpg" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>Click
     1635on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    13131636mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Parametric
    1314 Fit/Add</span></b><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1637Fit/Add</span></b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    13151638major-latin;mso-hansi-theme-font:major-latin'> <b style='mso-bidi-font-weight:
    13161639normal'>equation</b></span> menu item, which opens a window similar to what was
    … …  
    13241647 type="#_x0000_t75" style='width:311.25pt;height:152.25pt;visibility:visible;
    13251648 mso-wrap-style:square'>
    1326  <v:imagedata src="ParametricFitting_files/image030.png" o:title="" croptop="4213f"
     1649 <v:imagedata src="ParametricFitting_files/image031.png" o:title="" croptop="4213f"
    13271650  cropbottom="8982f" cropleft="3490f" cropright="3653f"/>
    1328 </v:shape><![endif]--><![if !vml]><img border=0 width=415 height=203
    1329 src="ParametricFitting_files/image031.png" v:shapes="Picture_x0020_17"><![endif]></span></p>
     1651</v:shape><![endif]--><![if !vml]><img width=415 height=203
     1652src="ParametricFitting_files/image032.png" v:shapes="Picture_x0020_17"><![endif]></span></p>
    13301653
    13311654<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
    13321655
    13331656<p class=MsoNormal>We will want to fit the unit cell volume to an equation of
    1334 form <i style='mso-bidi-font-style:normal'>y = mx+b</i>, where y will be the
    1335 volume and x temperature and m and b will be best fit. </p>
     1657form <i style='mso-bidi-font-style:normal'>y = <span class=SpellE>mx+b</span></i>,
     1658where y will be the volume and x temperature and m and b will be best fit. </p>
    13361659
    13371660<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><o:p>&nbsp;</o:p></b></p>
    … …  
    13421665style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></b><![endif]>Click
    13431666the<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
    1344 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1345 major-latin;mso-hansi-theme-font:major-latin'>&#8597; </span></b>button to select
    1346 a dependent variable for &quot;y&quot;. From the phase list, select the unit
    1347 cell volume for the CuCr<sub>2</sub>O<sub>4</sub> phase, select<b
     1667normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1668major-latin;mso-hansi-theme-font:major-latin'>&#8597; </span></b>button to
     1669select a dependent variable for &quot;y&quot;. From the phase list, select the
     1670unit cell volume for the CuCr<sub>2</sub>O<sub>4</sub> phase, select<b
    13481671style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1349 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1672style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    13501673mso-hansi-theme-font:major-latin'>0::Vol</span></b> and then press<b
    13511674style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1352 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1675style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    13531676mso-hansi-theme-font:major-latin'>OK</span>.<o:p></o:p></b></p>
    13541677
    … …  
    13591682 type="#_x0000_t75" style='width:314.25pt;height:132pt;visibility:visible;
    13601683 mso-wrap-style:square'>
    1361  <v:imagedata src="ParametricFitting_files/image032.png" o:title="" croptop="3830f"
     1684 <v:imagedata src="ParametricFitting_files/image033.png" o:title="" croptop="3830f"
    13621685  cropbottom="9359f" cropleft="3705f" cropright="3502f"/>
    1363 </v:shape><![endif]--><![if !vml]><img border=0 width=419 height=176
    1364 src="ParametricFitting_files/image033.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     1686</v:shape><![endif]--><![if !vml]><img width=419 height=176
     1687src="ParametricFitting_files/image034.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    13651688
    13661689<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    … …  
    13681691 type="#_x0000_t75" style='width:311.25pt;height:155.25pt;visibility:visible;
    13691692 mso-wrap-style:square'>
    1370  <v:imagedata src="ParametricFitting_files/image034.png" o:title="" croptop="3548f"
     1693 <v:imagedata src="ParametricFitting_files/image035.png" o:title="" croptop="3548f"
    13711694  cropbottom="8549f" cropleft="3611f" cropright="3665f"/>
    1372 </v:shape><![endif]--><![if !vml]><img border=0 width=415 height=207
    1373 src="ParametricFitting_files/image035.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     1695</v:shape><![endif]--><![if !vml]><img width=415 height=207
     1696src="ParametricFitting_files/image036.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    13741697
    13751698<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    13801703</span></span></span><![endif]>Now we enter the equation using Python syntax,
    13811704which is simply &quot;<b style='mso-bidi-font-weight:normal'><span
    1382 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1705style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    13831706mso-hansi-theme-font:major-latin'>m*x + b</span></b>&quot;, note that the use
    13841707of spaces and the choice of labels is arbitrary. If one were to accidentally
    13851708leave out the &quot;<span style='font-family:Courier'>*</span>&quot; and typed
    1386 &quot;<span style='font-family:Courier'>mx</span>&quot; then that would be considered
    1387 a label, if &quot;<span style='font-family:Courier'>m x</span>&quot; were
    1388 typed, an error message would be displayed. </p>
     1709&quot;<span style='font-family:Courier'>mx</span>&quot; then that would be
     1710considered a label, if &quot;<span style='font-family:Courier'>m x</span>&quot;
     1711were typed, an error message would be displayed. </p>
    13891712
    13901713<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    13941717 type="#_x0000_t75" style='width:315.75pt;height:155.25pt;visibility:visible;
    13951718 mso-wrap-style:square'>
    1396  <v:imagedata src="ParametricFitting_files/image036.png" o:title="" croptop="3326f"
     1719 <v:imagedata src="ParametricFitting_files/image037.png" o:title="" croptop="3326f"
    13971720  cropbottom="8766f" cropleft="3010f" cropright="3419f"/>
    1398 </v:shape><![endif]--><![if !vml]><img border=0 width=421 height=207
    1399 src="ParametricFitting_files/image037.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     1721</v:shape><![endif]--><![if !vml]><img width=421 height=207
     1722src="ParametricFitting_files/image038.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    14001723
    14011724<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    14021725
    14031726<p class=MsoListParagraphCxSpMiddle>Then press <b style='mso-bidi-font-weight:
    1404 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1727normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    14051728major-latin;mso-hansi-theme-font:major-latin'>Validate</span></b> or wait a few
    14061729seconds and a window changes, as above, allowing assignment of the three new
    1407 labels (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1730labels (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14081731mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>,
    1409 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1732<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14101733mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x</span></b>,
    1411 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1734and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14121735mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>).
    14131736</p>
    … …  
    14281751 mso-position-vertical-relative:margin;mso-width-percent:0;
    14291752 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    1430  <v:imagedata src="ParametricFitting_files/image038.png" o:title=""/>
     1753 <v:imagedata src="ParametricFitting_files/image039.png" o:title=""/>
    14311754 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    14321755</v:shape><![endif]--><![if !vml]><img width=127 height=47
    1433 src="ParametricFitting_files/image039.jpg" align=right hspace=12 v:shapes="Picture_x0020_22"><![endif]>Assign
    1434 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1756src="ParametricFitting_files/image040.jpg" align=right hspace=12 v:shapes="Picture_x0020_22"><![endif]>Assign
     1757<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14351758mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>
    1436 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1759and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14371760mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>
    14381761as refinable “free” parameters: Click on the <b style='mso-bidi-font-weight:
    1439 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1762normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    14401763major-latin;mso-hansi-theme-font:major-latin'>&#8597;</span></b><span
    1441 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1764style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    14421765mso-hansi-theme-font:major-latin'> </span>button next to b and select<b
    14431766style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1444 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1445 mso-hansi-theme-font:major-latin'>Free</span></b>. Then repeat this for<b
    1446 style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1447 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1448 mso-hansi-theme-font:major-latin'>m</span></b>. </p>
     1767style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     1768mso-hansi-theme-font:major-latin'>Free</span></b>. Then repeat this <span
     1769class=SpellE>for<b style='mso-bidi-font-weight:normal'> </b><b
     1770style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1771mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b></span>.
     1772</p>
    14491773
    14501774<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    … …  
    14521776 type="#_x0000_t75" style='width:314.25pt;height:153pt;visibility:visible;
    14531777 mso-wrap-style:square'>
    1454  <v:imagedata src="ParametricFitting_files/image040.png" o:title="" croptop="3992f"
     1778 <v:imagedata src="ParametricFitting_files/image041.png" o:title="" croptop="3992f"
    14551779  cropbottom="8541f" cropleft="3250f" cropright="3415f"/>
    1456 </v:shape><![endif]--><![if !vml]><img border=0 width=419 height=204
    1457 src="ParametricFitting_files/image041.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     1780</v:shape><![endif]--><![if !vml]><img width=419 height=204
     1781src="ParametricFitting_files/image042.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
    14581782
    14591783<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    14771801 mso-position-vertical-relative:margin;mso-width-percent:0;
    14781802 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
    1479  <v:imagedata src="ParametricFitting_files/image042.png" o:title=""/>
     1803 <v:imagedata src="ParametricFitting_files/image043.png" o:title=""/>
    14801804 <w:wrap type="square" anchorx="margin" anchory="margin"/>
    14811805</v:shape><![endif]--><![if !vml]><img width=101 height=35
    1482 src="ParametricFitting_files/image043.jpg" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>To
    1483 set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1806src="ParametricFitting_files/image044.jpg" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>To
     1807set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14841808mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x</span></b>
    14851809as the temperature, click on the <b style='mso-bidi-font-weight:normal'><span
    1486 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1810style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    14871811mso-hansi-theme-font:major-latin'>&#8597;</span></b><span style='font-family:
    1488 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     1812"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    14891813major-latin'> </span>button next to <b style='mso-bidi-font-weight:normal'><span
    1490 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1814style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    14911815mso-hansi-theme-font:major-latin'>x</span></b>, select<b style='mso-bidi-font-weight:
    14921816normal'> </b><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1493 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     1817"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    14941818major-latin'>Global</span>,</b> and then select<b style='mso-bidi-font-weight:
    14951819normal'> </b><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1496 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     1820"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    14971821major-latin'>Temperature</span></b> from the list and click on<b
    14981822style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1499 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1823style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    15001824mso-hansi-theme-font:major-latin'>OK</span></b>.</p>
    15011825
    … …  
    15061830 id="Picture_x0020_25" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:245.25pt;
    15071831 height:108.75pt;visibility:visible;mso-wrap-style:square'>
    1508  <v:imagedata src="ParametricFitting_files/image044.png" o:title="" croptop="5483f"
     1832 <v:imagedata src="ParametricFitting_files/image045.png" o:title="" croptop="5483f"
    15091833  cropbottom="10984f" cropleft="4191f" cropright="4159f"/>
    1510 </v:shape><![endif]--><![if !vml]><img border=0 width=327 height=145
    1511 src="ParametricFitting_files/image045.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
     1834</v:shape><![endif]--><![if !vml]><img width=327 height=145
     1835src="ParametricFitting_files/image046.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
    15121836
    15131837<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    15161840of the dependent variable and the expression for the first refinement, as
    15171841below. <span style='mso-spacerun:yes'> </span>Optionally, the values for <b
    1518 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1842style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15191843mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>
    1520 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1844and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15211845mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>
    15221846could be changed manually and the displayed value will be updated when <b
    1523 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1847style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15241848mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Validate</span></b>
    15251849is pressed or after a short delay.</p>
    … …  
    15311855 type="#_x0000_t75" style='width:314.25pt;height:153pt;visibility:visible;
    15321856 mso-wrap-style:square'>
    1533  <v:imagedata src="ParametricFitting_files/image046.png" o:title="" croptop="3992f"
     1857 <v:imagedata src="ParametricFitting_files/image047.png" o:title="" croptop="3992f"
    15341858  cropbottom="8541f" cropleft="3490f" cropright="3294f"/>
    1535 </v:shape><![endif]--><![if !vml]><img border=0 width=419 height=204
    1536 src="ParametricFitting_files/image047.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
     1859</v:shape><![endif]--><![if !vml]><img width=419 height=204
     1860src="ParametricFitting_files/image048.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
    15371861
    15381862<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    15421866style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    15431867</span></span></span><![endif]>Press the <b style='mso-bidi-font-weight:normal'><span
    1544 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1868style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    15451869mso-hansi-theme-font:major-latin'>OK</span></b> button to save this parametric
    1546 fit. The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1870fit. The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15471871mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>
    1548 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1872and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15491873mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>
    15501874values are then refined and the console shows the results:</p>
    … …  
    15651889<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    15661890auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:Courier'><span
    1567 style='mso-spacerun:yes'>   </span>x<span style='mso-spacerun:yes'>  </span>=
    1568 Temperature<o:p></o:p></span></b></p>
     1891style='mso-spacerun:yes'>   </span><span class=GramE>x<span
     1892style='mso-spacerun:yes'>  </span>=</span> Temperature<o:p></o:p></span></b></p>
    15691893
    15701894<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    15711895auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:Courier'><span
    1572 style='mso-spacerun:yes'>   </span>b<span style='mso-spacerun:yes'>  </span>=
    1573 561.7722(26)<o:p></o:p></span></b></p>
     1896style='mso-spacerun:yes'>   </span><span class=GramE>b<span
     1897style='mso-spacerun:yes'>  </span>=</span> 561.7722(26)<o:p></o:p></span></b></p>
    15741898
    15751899<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    15761900auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:Courier'><span
    1577 style='mso-spacerun:yes'>   </span>m<span style='mso-spacerun:yes'>  </span>=
    1578 0.014833(14)<o:p></o:p></span></b></p>
    1579 
     1901style='mso-spacerun:yes'>   </span><span class=GramE>m<span
     1902style='mso-spacerun:yes'>  </span>=</span> 0.014833(14)<o:p></o:p></span></b></p>
    15801903
    15811904<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    … …  
    15861909 type="#_x0000_t75" style='width:350.25pt;height:302.25pt;visibility:visible;
    15871910 mso-wrap-style:square'>
    1588  <v:imagedata src="ParametricFitting_files/image048.png" o:title=""/>
    1589 </v:shape><![endif]--><![if !vml]><img border=0 width=467 height=403
    1590 src="ParametricFitting_files/image048.png" v:shapes="Picture_x0020_27"><![endif]></span><span
    1591 style='font-family:"Cambria","serif";mso-ascii-theme-font:minor-latin;
    1592 mso-hansi-theme-font:minor-latin'><o:p></o:p></span></p>
     1911 <v:imagedata src="ParametricFitting_files/image049.png" o:title=""/>
     1912</v:shape><![endif]--><![if !vml]><img width=467 height=403
     1913src="ParametricFitting_files/image050.jpg" v:shapes="Picture_x0020_27"><![endif]></span><span
     1914style='font-family:"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1915minor-latin'><o:p></o:p></span></p>
    15931916
    15941917<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    16191942</span></span></span><![endif]>Optionally Double-click on the<b
    16201943style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1621 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     1944style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    16221945mso-hansi-theme-font:major-latin'>0::c</span> </b>column. Note the changes in
    16231946the <i style='mso-bidi-font-style:normal'>c</i> unit cell parameter as a
    … …  
    16301953 type="#_x0000_t75" style='width:350.25pt;height:303pt;visibility:visible;
    16311954 mso-wrap-style:square'>
    1632  <v:imagedata src="ParametricFitting_files/image050.png" o:title=""/>
    1633 </v:shape><![endif]--><![if !vml]><img border=0 width=467 height=404
    1634 src="ParametricFitting_files/image050.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     1955 <v:imagedata src="ParametricFitting_files/image051.png" o:title=""/>
     1956</v:shape><![endif]--><![if !vml]><img width=467 height=404
     1957src="ParametricFitting_files/image052.jpg" v:shapes="Picture_x0020_28"><![endif]></span></p>
    16351958
    16361959<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    16401963style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    16411964</span></span></span><![endif]>We will now fit <i style='mso-bidi-font-style:
    1642 normal'>c</i> as a function of form 1/(1 + exp[k(t-t<sub>0</sub>)]). Select the<b
    1643 style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1644 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1645 mso-hansi-theme-font:major-latin'>Parametric Fit/Add</span></b><span
    1646 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1647 mso-hansi-theme-font:major-latin'> <b style='mso-bidi-font-weight:normal'>equation</b></span>
    1648 menu item (as before). For the dependent variable, click on<b style='mso-bidi-font-weight:
     1965normal'>c</i> as a function of form 1<span class=GramE>/(</span>1 + <span
     1966class=SpellE>exp</span>[k(t-t<sub>0</sub>)]). Select the<b style='mso-bidi-font-weight:
    16491967normal'> </b><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1650 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    1651 major-latin'>Phase</span></b> and then select<b style='mso-bidi-font-weight:
    1652 normal'> </b><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1653 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    1654 major-latin'>0::c</span></b>.<span style='mso-spacerun:yes'>  </span></p>
     1968"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     1969major-latin'>Parametric Fit/Add</span></b><span style='font-family:"Calibri",sans-serif;
     1970mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'> <b
     1971style='mso-bidi-font-weight:normal'>equation</b></span> menu item (as before).
     1972For the dependent variable, click on<b style='mso-bidi-font-weight:normal'> </b><b
     1973style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1974mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase</span></b>
     1975and then select<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
     1976normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1977major-latin;mso-hansi-theme-font:major-latin'>0::c</span></b>.<span
     1978style='mso-spacerun:yes'>  </span></p>
    16551979
    16561980<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    16641988
    16651989<p class=MsoListParagraphCxSpMiddle style='text-indent:.5in'><b
    1666 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1667 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b + c /
    1668 (1+math.exp(k*(t-t0)))<o:p></o:p></span></b></p>
    1669 
    1670 <p class=MsoListParagraphCxSpMiddle><span style='font-family:"Cambria","serif";
     1990style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1991mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b + c / (1+<span
     1992class=GramE>math.exp(</span>k*(t-t0)))<o:p></o:p></span></b></p>
     1993
     1994<p class=MsoListParagraphCxSpMiddle><span style='font-family:"Cambria",serif;
    16711995mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><o:p>&nbsp;</o:p></span></p>
    16721996
    1673 <p class=MsoListParagraphCxSpLast>Note that use of spaces here is arbitrary,
    1674 but all parentheses are required. Also note that the exponential function
    1675 [exp(x) or e<sup>x</sup>] is supplied in Python in the math and numpy modules
    1676 as math.exp(), numpy.exp(). Either of these can be used as well as the
    1677 convenience abbreviation of np.exp(). Further, there are also a small number of
    1678 common functions that are defined without the prefix for convenience [these
    1679 include pi, exp(), sqrt(), sind(), cosd(), tand() where d indicates an argument
    1680 in degrees.]</p>
     1997<p class=MsoListParagraphCxSpLast>Note that use of spaces here is arbitrary, but
     1998all parentheses are required. Also note that the exponential function [<span
     1999class=SpellE>exp</span>(x) or e<sup>x</sup>] is supplied in Python in the math
     2000and <span class=SpellE>numpy</span> modules as <span class=SpellE><span
     2001class=GramE>math.exp</span></span><span class=GramE>(</span>), <span
     2002class=SpellE>numpy.exp</span>(). Either of these can be used as well as the
     2003convenience abbreviation of <span class=SpellE><span class=GramE>np.exp</span></span><span
     2004class=GramE>(</span>). Further, there are also a small number of common
     2005functions that are defined without the prefix for convenience [these include
     2006pi, <span class=SpellE><span class=GramE>exp</span></span><span class=GramE>(</span>),
     2007<span class=SpellE>sqrt</span>(), <span class=SpellE>sind</span>(), <span
     2008class=SpellE>cosd</span>(), <span class=SpellE>tand</span>() where d indicates
     2009an argument in degrees.]</p>
    16812010
    16822011<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    16872016</span></span></span><![endif]>Assign free variables to<b style='mso-bidi-font-weight:
    16882017normal'> </b><b style='mso-bidi-font-weight:normal'><span style='font-family:
    1689 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     2018"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    16902019major-latin'>b</span>, </b><b style='mso-bidi-font-weight:normal'><span
    1691 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2020style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    16922021mso-hansi-theme-font:major-latin'>c</span>, </b><b style='mso-bidi-font-weight:
    1693 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2022normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    16942023major-latin;mso-hansi-theme-font:major-latin'>k</span> </b>and<b
    16952024style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1696 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2025style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    16972026mso-hansi-theme-font:major-latin'>t0</span></b>, similar as to what was done
    16982027before. Note that the<b style='mso-bidi-font-weight:normal'> </b>variable name
    1699 for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2028for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17002029mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>
    17012030label was set automatically to <b style='mso-bidi-font-weight:normal'><span
    1702 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2031style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    17032032mso-hansi-theme-font:major-latin'>b_1</span></b>. If the same variable name (<b
    1704 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2033style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17052034mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>)
    17062035was used again here, the same value would be used to fit both equations, which
    1707 is certainly not what we want here.<span style='mso-spacerun:yes'>  </span>Finally,
    1708 since this equation is too complex to fit without some reasonable starting
    1709 values, specify an approximate value, <b style='mso-bidi-font-weight:normal'><span
    1710 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1711 mso-hansi-theme-font:major-latin'>120</span></b>, for the vicinity of where the <i
    1712 style='mso-bidi-font-style:normal'>c</i> lattice parameter starts to
    1713 change (<b style='mso-bidi-font-weight:
    1714 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1715 major-latin;mso-hansi-theme-font:major-latin'>t0</span></b>) and
    1716 non-zero values for variables <B>c</B> and <B>k</B>.</p>
     2036is certainly not what we want here.<span style='mso-spacerun:yes'> 
     2037</span>Finally, since this equation is too complex to fit without some
     2038reasonable starting values, specify an approximate value, <b style='mso-bidi-font-weight:
     2039normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2040major-latin;mso-hansi-theme-font:major-latin'>120</span></b>, for the vicinity
     2041of where the <i style='mso-bidi-font-style:normal'>c</i> lattice parameter
     2042starts to change (<b style='mso-bidi-font-weight:normal'><span
     2043style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     2044mso-hansi-theme-font:major-latin'>t0</span></b>) and non-zero values for
     2045variables <b>c</b> and <b>k</b>.</p>
    17172046
    17182047<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    17222051 type="#_x0000_t75" style='width:317.25pt;height:171pt;visibility:visible;
    17232052 mso-wrap-style:square'>
    1724  <v:imagedata src="ParametricFitting_files/image052.png" o:title=""/>
    1725 </v:shape><![endif]--><![if !vml]><img border=0 width=423 height=228
    1726 src="ParametricFitting_files/image052.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2053 <v:imagedata src="ParametricFitting_files/image053.png" o:title=""/>
     2054</v:shape><![endif]--><![if !vml]><img width=423 height=228
     2055src="ParametricFitting_files/image054.jpg" v:shapes="Picture_x0020_40"><![endif]></span></p>
    17272056
    17282057<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    17322061style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    17332062</span></span></span><![endif]>Optionally, press the <b style='mso-bidi-font-weight:
    1734 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2063normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    17352064major-latin;mso-hansi-theme-font:major-latin'>Fit</span></b> button to see if
    17362065the equation can be refined with starting values of zero for the other three
    … …  
    17442073 id="Picture_x0020_41" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:317.25pt;
    17452074 height:168.75pt;visibility:visible;mso-wrap-style:square'>
    1746  <v:imagedata src="ParametricFitting_files/image054.png" o:title=""/>
    1747 </v:shape><![endif]--><![if !vml]><img border=0 width=423 height=225
    1748 src="ParametricFitting_files/image054.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     2075 <v:imagedata src="ParametricFitting_files/image055.png" o:title=""/>
     2076</v:shape><![endif]--><![if !vml]><img width=423 height=225
     2077src="ParametricFitting_files/image056.jpg" v:shapes="Picture_x0020_41"><![endif]></span></p>
    17492078
    17502079<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    17542083style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    17552084</span></span></span><![endif]>Press <b style='mso-bidi-font-weight:normal'><span
    1756 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2085style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    17572086mso-hansi-theme-font:major-latin'>OK</span></b> to add this equation to the
    17582087parametric fits and both equations are refit (and if the label for <b
    1759 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2088style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17602089mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b</span></b>
    17612090had not been changed, applying the constraint that <b style='mso-bidi-font-weight:
    1762 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2091normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    17632092major-latin;mso-hansi-theme-font:major-latin'>b</span></b> must be the same for
    17642093both equations.) </p>
    … …  
    17702099 type="#_x0000_t75" style='width:353.25pt;height:300.75pt;visibility:visible;
    17712100 mso-wrap-style:square'>
    1772  <v:imagedata src="ParametricFitting_files/image056.png" o:title=""/>
    1773 </v:shape><![endif]--><![if !vml]><img border=0 width=471 height=401
    1774 src="ParametricFitting_files/image056.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2101 <v:imagedata src="ParametricFitting_files/image057.png" o:title=""/>
     2102</v:shape><![endif]--><![if !vml]><img width=471 height=401
     2103src="ParametricFitting_files/image058.jpg" v:shapes="Picture_x0020_32"><![endif]></span></p>
    17752104
    17762105<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    … …  
    17812110</span></span></span><![endif]>We will now try a more complex equation for the
    17822111same data, where we set the value to <b style='mso-bidi-font-weight:normal'><span
    1783 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2112style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    17842113mso-hansi-theme-font:major-latin'>b</span></b> for temperatures less than <b
    1785 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2114style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17862115mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>t0</span></b>
    17872116and a critical phenomenon formulism [(t-t<sub>0</sub>)<sup>-a</sup>] for
    17882117temperatures above <b style='mso-bidi-font-weight:normal'><span
    1789 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2118style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    17902119mso-hansi-theme-font:major-latin'>t0</span></b>. To do this we use the Python
    17912120syntax &quot;<b style='mso-bidi-font-weight:normal'><span style='font-family:
    1792 "Calibri","sans-serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
    1793 major-latin'>x1 if testexp else x2</span></b>&quot; which is <b
    1794 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2121"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
     2122major-latin'>x1 if <span class=SpellE>testexp</span> else x2</span></b>&quot;
     2123which is <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17952124mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x1</span></b>
    1796 where the test expression (<b style='mso-bidi-font-weight:normal'><span
    1797 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    1798 mso-hansi-theme-font:major-latin'>testexp</span></b> here) is <b
    1799 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2125where the test expression (<span class=SpellE><b style='mso-bidi-font-weight:
     2126normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2127major-latin;mso-hansi-theme-font:major-latin'>testexp</span></b></span> here)
     2128is <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18002129mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>True</span></b>
    1801 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2130and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18022131mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x2</span></b>
    18032132otherwise. Thus we can use an expression such as:</p>
    … …  
    18062135
    18072136<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1808 auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1809 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b if t &lt;=
    1810 t0 else b + c * (1-(t-t0)**d)<o:p></o:p></span></b></p>
     2137auto'><span class=GramE><b style='mso-bidi-font-weight:normal'><span
     2138style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     2139mso-hansi-theme-font:major-latin'>b</span></b></span><b style='mso-bidi-font-weight:
     2140normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2141major-latin;mso-hansi-theme-font:major-latin'> if t &lt;= t0 else b + c *
     2142(1-(t-t0)**d)<o:p></o:p></span></b></p>
    18112143
    18122144<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    18132145auto'><span style='font-family:Courier'><o:p>&nbsp;</o:p></span></p>
    18142146
    1815 <p class=MsoListParagraphCxSpMiddle>This may be easier to read with the
    1816 inclusion of extra parentheses (that have no effect on the execution):<span
    1817 style='font-family:"Cambria","serif";mso-ascii-theme-font:minor-latin;
    1818 mso-hansi-theme-font:minor-latin'><o:p></o:p></span></p>
     2147<p class=MsoListParagraphCxSpMiddle>This may be easier to read with the inclusion
     2148of extra parentheses (that have no effect on the execution):<span
     2149style='font-family:"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2150minor-latin'><o:p></o:p></span></p>
    18192151
    18202152<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    18212153
    18222154<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1823 auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1824 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b if (t
    1825 &lt;= t0) else (b + c * (1-(t-t0)**d))<o:p></o:p></span></b></p>
     2155auto'><span class=GramE><b style='mso-bidi-font-weight:normal'><span
     2156style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     2157mso-hansi-theme-font:major-latin'>b</span></b></span><b style='mso-bidi-font-weight:
     2158normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2159major-latin;mso-hansi-theme-font:major-latin'> if (t &lt;= t0) else (b + c *
     2160(1-(t-t0)**d))<o:p></o:p></span></b></p>
    18262161
    18272162<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    … …  
    18302165<p class=MsoListParagraphCxSpMiddle>As before, add an equation (or edit an
    18312166existing one), set the dependent variable to <b style='mso-bidi-font-weight:
    1832 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2167normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18332168major-latin;mso-hansi-theme-font:major-latin'>0::c</span></b>, enter the
    18342169expression and assign the free and fixed variables, as before. Set the exponent
    1835 and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2170and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18362171mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>t0</span></b>
    18372172values to initial values of <b style='mso-bidi-font-weight:normal'><span
    1838 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2173style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    18392174mso-hansi-theme-font:major-latin'>-0.025</span></b> and <b style='mso-bidi-font-weight:
    1840 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2175normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18412176major-latin;mso-hansi-theme-font:major-latin'>120</span></b>, respectively, and
    18422177turn off their refinement flags. Then press <b style='mso-bidi-font-weight:
    1843 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2178normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    18442179major-latin;mso-hansi-theme-font:major-latin'>Fit</span></b>.<span
    1845 style='font-family:"Cambria","serif";mso-ascii-theme-font:minor-latin;
    1846 mso-hansi-theme-font:minor-latin'><o:p></o:p></span></p>
     2180style='font-family:"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2181minor-latin'><o:p></o:p></span></p>
    18472182
    18482183<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
    … …  
    18532188 type="#_x0000_t75" style='width:315.75pt;height:168.75pt;visibility:visible;
    18542189 mso-wrap-style:square'>
    1855  <v:imagedata src="ParametricFitting_files/image058.png" o:title=""/>
    1856 </v:shape><![endif]--><![if !vml]><img border=0 width=421 height=225
    1857 src="ParametricFitting_files/image058.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2190 <v:imagedata src="ParametricFitting_files/image059.png" o:title=""/>
     2191</v:shape><![endif]--><![if !vml]><img width=421 height=225
     2192src="ParametricFitting_files/image060.jpg" v:shapes="Picture_x0020_42"><![endif]></span></p>
    18582193
    18592194<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
    18602195
    18612196<p class=MsoListParagraphCxSpMiddle>Then turn refinement of <b
    1862 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2197style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18632198mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>t0</span></b>
    18642199back on and press <b style='mso-bidi-font-weight:normal'><span
    1865 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2200style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    18662201mso-hansi-theme-font:major-latin'>OK</span></b>. The resulting fit shows the
    18672202trends quite well: </p>
    … …  
    18732208 type="#_x0000_t75" style='width:351pt;height:302.25pt;visibility:visible;
    18742209 mso-wrap-style:square'>
    1875  <v:imagedata src="ParametricFitting_files/image060.png" o:title=""/>
    1876 </v:shape><![endif]--><![if !vml]><img border=0 width=468 height=403
    1877 src="ParametricFitting_files/image060.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2210 <v:imagedata src="ParametricFitting_files/image061.png" o:title=""/>
     2211</v:shape><![endif]--><![if !vml]><img width=468 height=403
     2212src="ParametricFitting_files/image062.jpg" v:shapes="Picture_x0020_35"><![endif]></span></p>
    18782213
    18792214<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
    … …  
    18852220<p class=MsoNormal>One can fit a function to a pseudo variable, just as to a
    18862221direct variable. If we look at the plot shown in Step 2, it appears there are
    1887 two regions. We can treat the lower range as a power-law growth, T<sup>k</sup>,
    1888 and the upper region as linear (m*T + b). </p>
     2222two regions. We can treat the lower range as a power-law growth, <span
     2223class=SpellE>T<sup>k</sup></span>, and the upper region as linear (m*T + b). </p>
    18892224
    18902225<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    18962231normal'> </b>(or edit an existing one). For the dependent variable, select<b
    18972232style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:normal'><span
    1898 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2233style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    18992234mso-hansi-theme-font:major-latin'>Global</span></b> to bring up that selection
    19002235of variables and select<b style='mso-bidi-font-weight:normal'> </b><b
    1901 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2236style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19022237mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>b/c</span> </b>and
    19032238press<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
    1904 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     2239normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    19052240major-latin;mso-hansi-theme-font:major-latin'>OK</span>. </b></p>
    19062241
    … …  
    19152250
    19162251<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1917 auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2252auto'><b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19182253mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin;mso-bidi-font-family:
    1919 "Lucida Grande";color:black'>(o1 + (a1*T)**k) if T &lt; 120 else (o2 + a2*T</span></b><b
    1920 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    1921 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>)<o:p></o:p></span></b></p>
    1922 
    1923 <p class=MsoListParagraphCxSpMiddle><span style='font-family:"Cambria","serif";
     2254"Lucida Grande";color:black'>(o1 + (a1*T<span class=GramE>)*</span>*k) if T
     2255&lt; 120 else (o2 + a2*T</span></b><b style='mso-bidi-font-weight:normal'><span
     2256style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     2257mso-hansi-theme-font:major-latin'>)<o:p></o:p></span></b></p>
     2258
     2259<p class=MsoListParagraphCxSpMiddle><span style='font-family:"Cambria",serif;
    19242260mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><o:p>&nbsp;</o:p></span></p>
    19252261
    … …  
    19292265</span></span></span><![endif]>Assign the free and fixed variables, as shown
    19302266below. Note that the exponent (<b style='mso-bidi-font-weight:normal'><span
    1931 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2267style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    19322268mso-hansi-theme-font:major-latin'>k</span></b>) and scaling factor (<b
    1933 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2269style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19342270mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>a1</span></b>),
    19352271cannot start as zero<b style='mso-bidi-font-weight:normal'>. </b></p>
    … …  
    19412277 type="#_x0000_t75" style='width:332.25pt;height:186pt;visibility:visible;
    19422278 mso-wrap-style:square'>
    1943  <v:imagedata src="ParametricFitting_files/image062.png" o:title=""/>
    1944 </v:shape><![endif]--><![if !vml]><img border=0 width=443 height=248
    1945 src="ParametricFitting_files/image062.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
     2279 <v:imagedata src="ParametricFitting_files/image063.png" o:title=""/>
     2280</v:shape><![endif]--><![if !vml]><img width=443 height=248
     2281src="ParametricFitting_files/image064.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
    19462282
    19472283<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    19512287style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    19522288</span></span></span><![endif]>Press the <b style='mso-bidi-font-weight:normal'><span
    1953 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2289style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    19542290mso-hansi-theme-font:major-latin'>Fit</span></b> button and note that all the
    19552291free variables are adjusted </p>
    … …  
    19612297 type="#_x0000_t75" style='width:333.75pt;height:189pt;visibility:visible;
    19622298 mso-wrap-style:square'>
    1963  <v:imagedata src="ParametricFitting_files/image064.png" o:title=""/>
    1964 </v:shape><![endif]--><![if !vml]><img border=0 width=445 height=252
    1965 src="ParametricFitting_files/image064.png" v:shapes="Picture_x0020_45"><![endif]></span><span
     2299 <v:imagedata src="ParametricFitting_files/image065.png" o:title=""/>
     2300</v:shape><![endif]--><![if !vml]><img width=445 height=252
     2301src="ParametricFitting_files/image066.png" v:shapes="Picture_x0020_45"><![endif]></span><span
    19662302style='mso-spacerun:yes'> </span></p>
    19672303
    … …  
    19772313 type="#_x0000_t75" style='width:348.75pt;height:302.25pt;visibility:visible;
    19782314 mso-wrap-style:square'>
    1979  <v:imagedata src="ParametricFitting_files/image066.png" o:title=""/>
    1980 </v:shape><![endif]--><![if !vml]><img border=0 width=465 height=403
    1981 src="ParametricFitting_files/image066.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
     2315 <v:imagedata src="ParametricFitting_files/image067.png" o:title=""/>
     2316</v:shape><![endif]--><![if !vml]><img width=465 height=403
     2317src="ParametricFitting_files/image068.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
    19822318
    19832319<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
    … …  
    19952331
    19962332<p class=MsoNormal>The parametric refinement section of GSAS-II is intended to
    1997 be quite flexible, but for very complex fitting, a user may wish to define a custom
    1998 Python function. Such a function can be defined in a separate module that will
    1999 be accessed with a parametric equation (or pseudo variable).</p>
     2333be quite flexible, but for very complex fitting, a user may wish to define a
     2334custom Python function. Such a function can be defined in a separate module
     2335that will be accessed with a parametric equation (or pseudo variable).</p>
    20002336
    20012337<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    20022338
    20032339<p class=MsoNormal>As an example of that, if we create a file called <b
    2004 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     2340style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    20052341mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>fittest.py</span></b>
    20062342and locate that file in any directory in the Python path (most simply, in the
    2007 directory where the project file, <b style='mso-bidi-font-weight:normal'><span
    2008 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    2009 mso-hansi-theme-font:major-latin'>SeqTut.gpx</span></b>, is located) and place
    2010 a routine <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2011 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>fitfxn</span></b>
    2012 in that module:</p>
     2343directory where the project file, <span class=SpellE><b style='mso-bidi-font-weight:
     2344normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2345major-latin;mso-hansi-theme-font:major-latin'>SeqTut.gpx</span></b></span>, is
     2346located) and place a routine <span class=SpellE><b style='mso-bidi-font-weight:
     2347normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2348major-latin;mso-hansi-theme-font:major-latin'>fitfxn</span></b></span> in that
     2349module:</p>
    20132350
    20142351<blockquote style='margin-top:5.0pt;margin-bottom:5.0pt'>
    20152352
    20162353<blockquote style='margin-top:5.0pt;margin-bottom:5.0pt'><pre><o:p>&nbsp;</o:p></pre><pre><b
    2017 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2018 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'># file fittest.py<o:p></o:p></span></b></pre><pre><b
    2019 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2020 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>def fitfxn(T,o1,o2,a1,a2,k):<o:p></o:p></span></b></pre><pre><b
    2021 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2022 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>    </span>if T &lt; 120:<o:p></o:p></span></b></pre><pre><b
    2023 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2024 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>        </span>return o1 + (a1*T)**k<o:p></o:p></span></b></pre><pre><b
    2025 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2026 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>    </span>else:<o:p></o:p></span></b></pre><pre><b
    2027 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    2028 mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>        </span>return o2 + a2*T<o:p></o:p></span></b></pre></blockquote>
     2354style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2355mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'># <span
     2356class=GramE>file</span> fittest.py<o:p></o:p></span></b></pre><pre><span
     2357class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span
     2358style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
     2359mso-hansi-theme-font:major-latin'>def</span></b></span></span><b
     2360style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2361mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'> <span
     2362class=SpellE>fitfxn</span>(T,o1,o2,a1,a2,k):<o:p></o:p></span></b></pre><pre><b
     2363style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2364mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>    </span><span
     2365class=GramE>if</span> T &lt; 120:<o:p></o:p></span></b></pre><pre><b
     2366style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2367mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>        </span><span
     2368class=GramE>return</span> o1 + (a1*T)**k<o:p></o:p></span></b></pre><pre><b
     2369style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2370mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>    </span><span
     2371class=GramE>else</span>:<o:p></o:p></span></b></pre><pre><b style='mso-bidi-font-weight:
     2372normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2373major-latin;mso-hansi-theme-font:major-latin'><span style='mso-spacerun:yes'>        </span><span
     2374class=GramE>return</span> o2 + a2*T<o:p></o:p></span></b></pre></blockquote>
    20292375
    20302376</blockquote>
    20312377
    2032 <p class=MsoNormal>The function <b style='mso-bidi-font-weight:normal'><span
    2033 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
    2034 mso-hansi-theme-font:major-latin'>fittest.fitfxn</span></b> can then be used to
    2035 duplicate the previous example: </p>
     2378<p class=MsoNormal>The function <span class=SpellE><b style='mso-bidi-font-weight:
     2379normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2380major-latin;mso-hansi-theme-font:major-latin'>fittest.fitfxn</span></b></span>
     2381can then be used to duplicate the previous example: </p>
    20362382
    20372383<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    … …  
    20402386 id="Picture_x0020_47" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:315pt;
    20412387 height:185.25pt;visibility:visible;mso-wrap-style:square'>
    2042  <v:imagedata src="ParametricFitting_files/image068.png" o:title="" croptop="3393f"
     2388 <v:imagedata src="ParametricFitting_files/image069.png" o:title="" croptop="3393f"
    20432389  cropbottom="7847f" cropleft="3471f" cropright="3290f"/>
    2044 </v:shape><![endif]--><![if !vml]><img border=0 width=420 height=247
    2045 src="ParametricFitting_files/image069.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
     2390</v:shape><![endif]--><![if !vml]><img width=420 height=247
     2391src="ParametricFitting_files/image070.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
    20462392
    20472393<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    20482394
    20492395<p class=MsoNormal>Note that module <b style='mso-bidi-font-weight:normal'><span
    2050 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:major-latin;
     2396style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
    20512397mso-hansi-theme-font:major-latin'>fittest</span></b> is automatically located
    20522398and loaded, provided it is found in the path. No changes to the standard
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