Changeset 3556 for Tutorials


Ignore:
Timestamp:
Aug 6, 2018 8:36:25 AM (3 years ago)
Author:
vondreele
Message:

small fix (I hope)

Location:
Tutorials/TOF Sequential Single Peak Fit
Files:
7 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/TOF Sequential Single Peak Fit/TOF Sequential Single Peak Fit.htm

    r3553 r3556  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>vondreele</o:LastAuthor>
    27   <o:Revision>14</o:Revision>
    28   <o:TotalTime>570</o:TotalTime>
     27  <o:Revision>15</o:Revision>
     28  <o:TotalTime>571</o:TotalTime>
    2929  <o:Created>2018-07-17T14:05:00Z</o:Created>
    30   <o:LastSaved>2018-07-25T14:52:00Z</o:LastSaved>
     30  <o:LastSaved>2018-08-06T13:34:00Z</o:LastSaved>
    3131  <o:Pages>1</o:Pages>
    3232  <o:Words>1509</o:Words>
     
    4848 <w:WordDocument>
    4949  <w:Zoom>132</w:Zoom>
    50   <w:SpellingState>Clean</w:SpellingState>
    51   <w:GrammarState>Clean</w:GrammarState>
    5250  <w:TrackMoves>false</w:TrackMoves>
    5351  <w:TrackFormatting/>
     
    11221120        font-weight:bold;
    11231121        mso-bidi-font-weight:normal;}
    1124 span.SpellE
    1125         {mso-style-name:"";
    1126         mso-spl-e:yes;}
    1127 span.GramE
    1128         {mso-style-name:"";
    1129         mso-gram-e:yes;}
    11301122.MsoChpDefault
    11311123        {mso-style-type:export-only;
     
    11991191
    12001192 <p class=MsoNormal>A common analysis of diffraction data obtained from a
    1201 polycrystalline sample subjected to a changing uniaxial load is to follow the behavior
    1202 of fitted single peaks. The data sets considered here were obtained on the
    1203 Vulcan diffractometer at SNS, Oak Ridge National Laboratory. The layout of the
    1204 instrument</p>
     1193polycrystalline sample subjected to a changing uniaxial load is to follow the
     1194behavior of fitted single peaks. The data sets considered here were obtained on
     1195the Vulcan diffractometer at SNS, Oak Ridge National Laboratory. The layout of
     1196the instrument</p>
    12051197
    12061198<p class=MsoNormal><!--[if mso & !supportInlineShapes & supportFields]><span
     
    14351427     "Times New Roman";mso-bidi-theme-font:minor-bidi;color:black;mso-themecolor:
    14361428     text1;mso-font-kerning:12.0pt'> Detector<span
    1437      style='mso-spacerun:yes'>     </span><span
    1438      style='mso-spacerun:yes'>          </span>transverse planes “Bank 1”</span></p>
     1429     style='mso-spacerun:yes'>              </span><span
     1430     style='mso-spacerun:yes'> </span>transverse planes “Bank 1”</span></p>
    14391431     </div>
    14401432     <![if !mso]></td>
     
    16281620 <w:anchorlock/>
    16291621</v:group><![endif]--><![if !vml]><img width=503 height=248
    1630 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image001.gif" v:shapes="Group_x0020_21 Straight_x0020_Arrow_x0020_Connector_x0020_2 Rectangle_x0020_3 Rectangle_x0020_4 Straight_x0020_Arrow_x0020_Connector_x0020_5 TextBox_x0020_9 TextBox_x0020_10 TextBox_x0020_11 TextBox_x0020_12 TextBox_x0020_13 Isosceles_x0020_Triangle_x0020_11 Isosceles_x0020_Triangle_x0020_12 Rectangle_x0020_13"><![endif]><!--[if gte vml 1]><v:shapetype
     1622src="TOF%20Sequential%20Single%20Peak%20Fit_files/image070.gif" v:shapes="Group_x0020_21 Straight_x0020_Arrow_x0020_Connector_x0020_2 Rectangle_x0020_3 Rectangle_x0020_4 Straight_x0020_Arrow_x0020_Connector_x0020_5 TextBox_x0020_9 TextBox_x0020_10 TextBox_x0020_11 TextBox_x0020_12 TextBox_x0020_13 Isosceles_x0020_Triangle_x0020_11 Isosceles_x0020_Triangle_x0020_12 Rectangle_x0020_13"><![endif]><!--[if gte vml 1]><v:shapetype
    16311623 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
    16321624 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
     
    16531645</v:shape><span style='mso-element:field-end'></span><![endif]--></p>
    16541646
    1655 <p class=MsoNormal><span class=GramE>has</span> panels of detectors on both
    1656 sides of the sample (in this case a Œ” stainless steel rod) oriented so that
    1657 the loading axis is 45° to the incident neutron beam. Thus one detector “Bank
    1658 1” only views crystallites with diffraction vectors parallel to the loading
    1659 direction while the other “Bank 2” only views crystallites with diffraction
    1660 vectors perpendicular to the load. In such an experiment, as the load is
    1661 increased (as a tension) we would expect that the reflections would shift to
    1662 higher d-<span class=SpellE>spacings</span> in Bank 1 and those seen in Bank 2
    1663 would shift to smaller d-<span class=SpellE>spacings</span>. If the load is a
    1664 compression, then the responses in the reflection positions would be reversed.
    1665 The shift records the response “strain” of the crystal lattice to the load
    1666 “stress”. The particular experiment done here was to subject the steel rod to
    1667 ten tension/compression cycles over 13 hours recording a diffraction pattern
    1668 from the two detectors each minute yielding ~800 data sets. The 1<sup>st</sup>
     1647<p class=MsoNormal>has panels of detectors on both sides of the sample (in this
     1648case a Œ” stainless steel rod) oriented so that the loading axis is 45° to the
     1649incident neutron beam. Thus one detector “Bank 1” only views crystallites with
     1650diffraction vectors parallel to the loading direction while the other “Bank 2”
     1651only views crystallites with diffraction vectors perpendicular to the load. In
     1652such an experiment, as the load is increased (as a tension) we would expect
     1653that the reflections would shift to higher d-spacings in Bank 1 and those seen
     1654in Bank 2 would shift to smaller d-spacings. If the load is a compression, then
     1655the responses in the reflection positions would be reversed. The shift records
     1656the response “strain” of the crystal lattice to the load “stress”. The
     1657particular experiment done here was to subject the steel rod to ten
     1658tension/compression cycles over 13 hours recording a diffraction pattern from
     1659the two detectors each minute yielding ~800 data sets. The 1<sup>st</sup>
    16691660loading cycle was done slowly over ~4.5hrs and the remaining ones done ~1hr
    16701661each; we will focus on just the 1<sup>st</sup> cycle for this tutorial
     
    16971688normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    16981689minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>TOF
    1699 Sequential Single Peak Fit/data</span></b> and then select all the *.<span
    1700 class=SpellE>gsa</span> files (435.gda-495.gda) and press <b style='mso-bidi-font-weight:
    1701 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1702 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
     1690Sequential Single Peak Fit/data</span></b> and then select all the *.gsa files
     1691(435.gda-495.gda) and press <b style='mso-bidi-font-weight:normal'><span
     1692style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1693mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
    17031694A small popup window will appear</p>
    17041695
     
    17091700  o:title=""/>
    17101701</v:shape><![endif]--><![if !vml]><img border=0 width=235 height=303
    1711 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image003.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
     1702src="TOF%20Sequential%20Single%20Peak%20Fit_files/image071.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
    17121703
    17131704<p class=MsoNormal>Select just <b style='mso-bidi-font-weight:normal'><span
     
    17261717  o:title=""/>
    17271718</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=232
    1728 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image005.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
    1729 
    1730 <p class=MsoNormal><span class=GramE>and</span> show the powder pattern</p>
     1719src="TOF%20Sequential%20Single%20Peak%20Fit_files/image072.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1720
     1721<p class=MsoNormal>and show the powder pattern</p>
    17311722
    17321723<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    17361727  o:title=""/>
    17371728</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    1738 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image007.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
     1729src="TOF%20Sequential%20Single%20Peak%20Fit_files/image073.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
    17391730
    17401731<p class=MsoNormal>You may start here but it is slightly better to start with
     
    17551746  o:title=""/>
    17561747</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=339
    1757 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image009.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
     1748src="TOF%20Sequential%20Single%20Peak%20Fit_files/image074.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
    17581749
    17591750<p class=MsoNormal>The plot shows the current limits as vertical green &amp;
     
    17661757  o:title=""/>
    17671758</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=444
    1768 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image011.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
    1769 
    1770 <p class=MsoNormal>Set the <span class=SpellE><b style='mso-bidi-font-weight:
    1771 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1772 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span>
     1759src="TOF%20Sequential%20Single%20Peak%20Fit_files/image075.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
     1760
     1761<p class=MsoNormal>Set the <b style='mso-bidi-font-weight:normal'><span
     1762style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1763mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b>
    17731764value to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17741765mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1775 minor-latin'>37000</span></b> and the <span class=SpellE><b style='mso-bidi-font-weight:
    1776 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1777 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b></span>
     1766minor-latin'>37000</span></b> and the <b style='mso-bidi-font-weight:normal'><span
     1767style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1768mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b>
    17781769to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    17791770mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    17871778  o:title=""/>
    17881779</v:shape><![endif]--><![if !vml]><img border=0 width=623 height=339
    1789 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image013.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
     1780src="TOF%20Sequential%20Single%20Peak%20Fit_files/image076.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
    17901781
    17911782<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    17951786  o:title=""/>
    17961787</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    1797 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image015.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
     1788src="TOF%20Sequential%20Single%20Peak%20Fit_files/image077.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
    17981789
    17991790<p class=MsoNormal>Next copy these limits to the other PWDR data sets; do <b
     
    18081799  o:title=""/>
    18091800</v:shape><![endif]--><![if !vml]><img border=0 width=253 height=422
    1810 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image017.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
     1801src="TOF%20Sequential%20Single%20Peak%20Fit_files/image078.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
    18111802
    18121803<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
     
    18351826  o:title=""/>
    18361827</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=339
    1837 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image019.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
     1828src="TOF%20Sequential%20Single%20Peak%20Fit_files/image079.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
    18381829
    18391830<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    18431834  o:title=""/>
    18441835</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    1845 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image021.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
     1836src="TOF%20Sequential%20Single%20Peak%20Fit_files/image080.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
    18461837
    18471838<p class=MsoNormal>Next do <b style='mso-bidi-font-weight:normal'><span
    18481839style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1849 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak Fitting/<span
    1850 class=SpellE>Peakfit</span></span></b> from the menu; a file dialog will appear
    1851 asking for a file name (I used “<b style='mso-bidi-font-weight:normal'><span
     1840mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak
     1841Fitting/Peakfit</span></b> from the menu; a file dialog will appear asking for
     1842a file name (I used “<b style='mso-bidi-font-weight:normal'><span
    18521843style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    18531844mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>steel</span></b>”)
    18541845to create a new project. The refinement will then do the initial fit to the 10
    1855 peaks varying only intensity and background (default of 3 term <span
    1856 class=SpellE>Chebyschev</span> <span class=SpellE>polynominal</span>). The
    1857 result is </p>
     1846peaks varying only intensity and background (default of 3 term Chebyschev
     1847polynominal). The result is </p>
    18581848
    18591849<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    18631853  o:title=""/>
    18641854</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    1865 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image023.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
    1866 
    1867 <p class=MsoNormal><span class=GramE>and</span> shows the need for further
    1868 refinement for both position &amp; peak width. To do this double click on the <b
    1869 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1870 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1871 minor-latin'>refine</span></b> column heading for <b style='mso-bidi-font-weight:
     1855src="TOF%20Sequential%20Single%20Peak%20Fit_files/image081.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
     1856
     1857<p class=MsoNormal>and shows the need for further refinement for both position
     1858&amp; peak width. To do this double click on the <b style='mso-bidi-font-weight:
    18721859normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    1873 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>position</span></b>
     1860minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b>
     1861column heading for <b style='mso-bidi-font-weight:normal'><span
     1862style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1863mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>position</span></b>
    18741864and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    18751865mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    18851875  o:title=""/>
    18861876</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=224
    1887 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image025.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
    1888 
    1889 <p class=MsoNormal><span class=GramE>with</span> check marks in three columns.
    1890 Then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1891 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1892 minor-latin'>Peak Fitting/<span class=SpellE>Peakfit</span></span></b>; the fit
    1893 will be much improved</p>
     1877src="TOF%20Sequential%20Single%20Peak%20Fit_files/image082.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
     1878
     1879<p class=MsoNormal>with check marks in three columns. Then do <b
     1880style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     1881mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     1882minor-latin'>Peak Fitting/Peakfit</span></b>; the fit will be much improved</p>
    18941883
    18951884<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    18991888  o:title=""/>
    19001889</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    1901 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image027.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
     1890src="TOF%20Sequential%20Single%20Peak%20Fit_files/image083.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
    19021891
    19031892<p class=MsoNormal>I’ve pressed both ‘<b style='mso-bidi-font-weight:normal'><span
     
    19081897style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    19091898mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>S</span></b>’
    1910 to see <span class=SpellE>sqrt</span>(intensity) on the plot. The residual for
    1911 the fit (see console for this) is ~14%; it perhaps could be improved by more
    1912 background terms but this will not have much effect on the peak parameters.</p>
     1899to see sqrt(intensity) on the plot. The residual for the fit (see console for
     1900this) is ~14%; it perhaps could be improved by more background terms but this
     1901will not have much effect on the peak parameters.</p>
    19131902
    19141903<h2>Step 3. Sequential peak fit</h2>
     
    19271916style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    19281917mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1929 minor-latin'>Peak Fitting/<span class=SpellE>Seq</span> <span class=SpellE>Peakfit</span></span></b>;
    1930 again a selection dialog will appear</p>
     1918minor-latin'>Peak Fitting/Seq Peakfit</span></b>; again a selection dialog will
     1919appear</p>
    19311920
    19321921<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    19361925  o:title=""/>
    19371926</v:shape><![endif]--><![if !vml]><img border=0 width=253 height=452
    1938 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image029.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
     1927src="TOF%20Sequential%20Single%20Peak%20Fit_files/image084.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
    19391928
    19401929<p class=MsoNormal>Notice this one does offer the possibility of doing the fit
     
    19561945  o:title=""/>
    19571946</v:shape><![endif]--><![if !vml]><img border=0 width=630 height=222
    1958 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image031.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
     1947src="TOF%20Sequential%20Single%20Peak%20Fit_files/image085.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
    19591948
    19601949<p class=MsoNormal>The table is quite large with &gt;30 columns and 61 rows so
     
    19751964  o:title=""/>
    19761965</v:shape><![endif]--><![if !vml]><img border=0 width=629 height=448
    1977 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image033.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
     1966src="TOF%20Sequential%20Single%20Peak%20Fit_files/image086.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
    19781967
    19791968<p class=MsoNormal>This shows the result of a loading/unloading cycle
     
    19971986  o:title=""/>
    19981987</v:shape><![endif]--><![if !vml]><img border=0 width=594 height=527
    1999 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image035.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
     1988src="TOF%20Sequential%20Single%20Peak%20Fit_files/image087.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
    20001989
    20011990<p class=MsoNormal>Notice there is an entry at the bottom of the table for <b
     
    20192008  o:title=""/>
    20202009</v:shape><![endif]--><![if !vml]><img border=0 width=626 height=429
    2021 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image037.gif" v:shapes="Picture_x0020_34"><![endif]></span></p>
     2010src="TOF%20Sequential%20Single%20Peak%20Fit_files/image088.gif" v:shapes="Picture_x0020_34"><![endif]></span></p>
    20222011
    20232012<p class=MsoNormal>Looking over the column headings, one is marked “stress” and
     
    20382027  o:title=""/>
    20392028</v:shape><![endif]--><![if !vml]><img border=0 width=570 height=391
    2040 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image039.gif" v:shapes="Picture_x0020_35"><![endif]></span></p>
     2029src="TOF%20Sequential%20Single%20Peak%20Fit_files/image089.gif" v:shapes="Picture_x0020_35"><![endif]></span></p>
    20412030
    20422031<p class=MsoNormal>Notice you can apply conversion factors to the column of
     
    20502039mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
    20512040all the Sample Parameters tables will be updated filling in the appropriate
    2052 values for <span class=GramE>Applied</span> load.</p>
     2041values for Applied load.</p>
    20532042
    20542043<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
     
    20632052  o:title=""/>
    20642053</v:shape><![endif]--><![if !vml]><img border=0 width=569 height=265
    2065 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image041.gif" v:shapes="Picture_x0020_36"><![endif]></span></p>
     2054src="TOF%20Sequential%20Single%20Peak%20Fit_files/image090.gif" v:shapes="Picture_x0020_36"><![endif]></span></p>
    20662055
    20672056<p class=MsoNormal>Applied load is a new column entry in the table; double
     
    20762065  o:title=""/>
    20772066</v:shape><![endif]--><![if !vml]><img border=0 width=628 height=447
    2078 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image042.gif" v:shapes="Picture_x0020_37"><![endif]></span></p>
    2079 
    2080 <p class=MsoNormal><span class=GramE>which</span> is unchanged from before. Place
    2081 the cursor anywhere on the plot (i.e. select it) and press <span class=GramE>the
    2082 ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2083 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2084 minor-latin'>s</span></b>’</span> key; a popup dialog will appear.</p>
     2067src="TOF%20Sequential%20Single%20Peak%20Fit_files/image091.gif" v:shapes="Picture_x0020_37"><![endif]></span></p>
     2068
     2069<p class=MsoNormal>which is unchanged from before. Place the cursor anywhere on
     2070the plot (i.e. select it) and press the ‘<b style='mso-bidi-font-weight:normal'><span
     2071style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2072mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>s</span></b>’
     2073key; a popup dialog will appear.</p>
    20852074
    20862075<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    20902079  o:title=""/>
    20912080</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=310
    2092 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image044.gif" v:shapes="Picture_x0020_39"><![endif]></span></p>
    2093 
    2094 <p class=MsoNormal>Select <span class=GramE><b style='mso-bidi-font-weight:
    2095 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2096 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Applied</span></b></span><b
     2081src="TOF%20Sequential%20Single%20Peak%20Fit_files/image092.gif" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2082
     2083<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
     2084style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2085mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Applied load</span></b>
     2086and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2087mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2088minor-latin'>OK</span></b>. The plot will change (you may have to select ‘<b
    20972089style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    20982090mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2099 minor-latin'> load</span></b> and press <b style='mso-bidi-font-weight:normal'><span
    2100 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2101 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
    2102 The plot will change (you may have to select ‘<b style='mso-bidi-font-weight:
    2103 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2104 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos0</span></b>’
    2105 again)</p>
     2091minor-latin'>pos0</span></b>’ again)</p>
    21062092
    21072093<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    21112097  o:title=""/>
    21122098</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    2113 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image046.gif" v:shapes="Picture_x0020_40"><![endif]><!--[if gte vml 1]><v:shape
     2099src="TOF%20Sequential%20Single%20Peak%20Fit_files/image093.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2100
     2101<p class=MsoNormal>This shows the perfectly linear response of peak position
     2102with applied load. Select another <b style='mso-bidi-font-weight:normal'><span
     2103style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2104mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos</span></b>
     2105parameter; the plot will change</p>
     2106
     2107<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    21142108 id="Picture_x0020_41" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:464.25pt;
    21152109 height:330pt;visibility:visible;mso-wrap-style:square'>
     
    21172111  o:title=""/>
    21182112</v:shape><![endif]--><![if !vml]><img border=0 width=619 height=440
    2119 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image048.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
    2120 
    2121 <p class=MsoNormal>This shows the perfectly linear response of peak position
    2122 with applied load. Select another <span class=SpellE><b style='mso-bidi-font-weight:
    2123 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2124 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos</span></b></span>
    2125 parameter; the plot will change</p>
    2126 
    2127 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
     2113src="TOF%20Sequential%20Single%20Peak%20Fit_files/image094.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
    21282114
    21292115<p class=MsoNormal>Pos1 shows hysteresis in a load/unload cycle; some of other
     
    21362122
    21372123<p class=MsoNormal>Since pos0 gives a nice straight line response to load, we
    2138 can try to extract the <span class=SpellE>Hookes</span> Law elastic coefficient
    2139 for that reflection. To do this we must find the strain from the peak position
    2140 shift from the zero load value. First select <b style='mso-bidi-font-weight:
    2141 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2142 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos0</span></b>
     2124can try to extract the Hookes Law elastic coefficient for that reflection. To
     2125do this we must find the strain from the peak position shift from the zero load
     2126value. First select <b style='mso-bidi-font-weight:normal'><span
     2127style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2128mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos0</span></b>
    21432129from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    21442130mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    21522138  o:title=""/>
    21532139</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    2154 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image049.gif" v:shapes="Picture_x0020_42"><![endif]></span></p>
     2140src="TOF%20Sequential%20Single%20Peak%20Fit_files/image095.gif" v:shapes="Picture_x0020_42"><![endif]></span></p>
    21552141
    21562142<p class=MsoNormal>Using the cursor, find the zero load point on the curve and
     
    21602146this do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    21612147mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2162 minor-latin'>Pseudo <span class=SpellE>Vars</span>/Add Formula</span></b>; a
    2163 new window “Expression Editor” will appear</p>
     2148minor-latin'>Pseudo Vars/Add Formula</span></b>; a new window “Expression
     2149Editor” will appear</p>
    21642150
    21652151<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    21692155  o:title=""/>
    21702156</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2171 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image051.gif" v:shapes="Picture_x0020_46"><![endif]></span></p>
     2157src="TOF%20Sequential%20Single%20Peak%20Fit_files/image096.gif" v:shapes="Picture_x0020_46"><![endif]></span></p>
    21722158
    21732159<p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
     
    21822168  o:title=""/>
    21832169</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2184 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image053.gif" v:shapes="Picture_x0020_47"><![endif]></span></p>
     2170src="TOF%20Sequential%20Single%20Peak%20Fit_files/image097.gif" v:shapes="Picture_x0020_47"><![endif]></span></p>
    21852171
    21862172<p class=MsoNormal>Select ‘<b style='mso-bidi-font-weight:normal'><span
     
    21912177style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    21922178mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>pos0</span></b>
    2193 (<span class=SpellE>pos</span> for the filter can help reduce the choices) from
    2194 the list and press <b style='mso-bidi-font-weight:normal'><span
    2195 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2196 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
    2197 The window is again redrawn</p>
     2179(pos for the filter can help reduce the choices) from the list and press <b
     2180style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2181mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2182minor-latin'>OK</span></b>. The window is again redrawn</p>
    21982183
    21992184<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    22032188  o:title=""/>
    22042189</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2205 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image055.gif" v:shapes="Picture_x0020_48"><![endif]></span></p>
     2190src="TOF%20Sequential%20Single%20Peak%20Fit_files/image098.gif" v:shapes="Picture_x0020_48"><![endif]></span></p>
    22062191
    22072192<p class=MsoNormal>All looks properly filled in so press <b style='mso-bidi-font-weight:
     
    22172202  o:title=""/>
    22182203</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=257
    2219 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image057.gif" v:shapes="Picture_x0020_49"><![endif]></span></p>
     2204src="TOF%20Sequential%20Single%20Peak%20Fit_files/image099.gif" v:shapes="Picture_x0020_49"><![endif]></span></p>
    22202205
    22212206<p class=MsoNormal>Click on that column heading to see its plot vs load</p>
     
    22272212  o:title=""/>
    22282213</v:shape><![endif]--><![if !vml]><img border=0 width=622 height=442
    2229 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image059.gif" v:shapes="Picture_x0020_50"><![endif]></span></p>
    2230 
    2231 <p class=MsoNormal>This is what we want to fit to get the <span class=SpellE>Hookes</span>
    2232 Law coefficient. Do <b style='mso-bidi-font-weight:normal'><span
    2233 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2234 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Parametric
    2235 Fit/Add equation</span></b>; the Expression Editor window will appear</p>
     2214src="TOF%20Sequential%20Single%20Peak%20Fit_files/image100.gif" v:shapes="Picture_x0020_50"><![endif]></span></p>
     2215
     2216<p class=MsoNormal>This is what we want to fit to get the Hookes Law
     2217coefficient. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
     2218"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     2219minor-latin;mso-bidi-theme-font:minor-latin'>Parametric Fit/Add equation</span></b>;
     2220the Expression Editor window will appear</p>
    22362221
    22372222<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    22412226  o:title=""/>
    22422227</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2243 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image061.gif" v:shapes="Picture_x0020_51"><![endif]></span></p>
     2228src="TOF%20Sequential%20Single%20Peak%20Fit_files/image101.gif" v:shapes="Picture_x0020_51"><![endif]></span></p>
    22442229
    22452230<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
     
    22512236from the list. Then enter <b style='mso-bidi-font-weight:normal'><span
    22522237style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2253 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>m*<span
    2254 class=SpellE>y+b</span></span></b> in the box to the right of the = sign. NB: x
    2255 was used earlier so we can’t use it here. That establishes the equation you are
    2256 trying to fit to the data. The window will change to give</p>
     2238mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>m*y+b</span></b>
     2239in the box to the right of the = sign. NB: x was used earlier so we can’t use
     2240it here. That establishes the equation you are trying to fit to the data. The
     2241window will change to give</p>
    22572242
    22582243<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    22622247  o:title=""/>
    22632248</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2264 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image063.gif" v:shapes="Picture_x0020_52"><![endif]></span></p>
     2249src="TOF%20Sequential%20Single%20Peak%20Fit_files/image102.gif" v:shapes="Picture_x0020_52"><![endif]></span></p>
    22652250
    22662251<p class=MsoNormal>For the three pull downs, <b style='mso-bidi-font-weight:
     
    22902275  o:title=""/>
    22912276</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=340
    2292 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image065.gif" v:shapes="Picture_x0020_53"><![endif]></span></p>
    2293 
    2294 <p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
    2295 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2296 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Fit</span></b></span>
     2277src="TOF%20Sequential%20Single%20Peak%20Fit_files/image103.gif" v:shapes="Picture_x0020_53"><![endif]></span></p>
     2278
     2279<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
     2280style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2281mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Fit</span></b>
    22972282or even just <b style='mso-bidi-font-weight:normal'><span style='font-family:
    22982283"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     
    23062291  o:title=""/>
    23072292</v:shape><![endif]--><![if !vml]><img border=0 width=325 height=161
    2308 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image067.gif" v:shapes="Picture_x0020_54"><![endif]></span></p>
     2293src="TOF%20Sequential%20Single%20Peak%20Fit_files/image104.gif" v:shapes="Picture_x0020_54"><![endif]></span></p>
    23092294
    23102295<p class=MsoNormal>And the plot will show the best fit line in red; it nicely
     
    23172302  o:title=""/>
    23182303</v:shape><![endif]--><![if !vml]><img border=0 width=626 height=446
    2319 src="TOF%20Sequential%20Single%20Peak%20Fit_files/image069.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
    2320 
    2321 <p class=MsoNormal>The resulting <span class=SpellE>Hookes</span> Law
    2322 coefficient is 40.38(13<span class=GramE>)x10</span><sup>-6 </sup>MN<sup>-1</sup>
     2304src="TOF%20Sequential%20Single%20Peak%20Fit_files/image105.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
     2305
     2306<p class=MsoNormal>The resulting Hookes Law coefficient is 40.38(13)x10<sup>-6 </sup>MN<sup>-1</sup>
    23232307for this reflection (austenite 111).<span style='mso-spacerun:yes'> 
    23242308</span>This end the tutorial; save the project if desired. You can further
    2325 explore the sequential results and perhaps extract <span class=SpellE>Hookes</span>
    2326 Law coefficients for the other reflections that show no hysteresis. If you want
    2327 the look at Bank 2 data (the opposite detector) you should start with a fresh
    2328 GSAS-II project file and follow this tutorial for it. The ratio of the
    2329 corresponding slope for the austenite 111 reflection with what we found here
    2330 should be the Poisson ratio.</p>
     2309explore the sequential results and perhaps extract Hookes Law coefficients for
     2310the other reflections that show no hysteresis. If you want the look at Bank 2
     2311data (the opposite detector) you should start with a fresh GSAS-II project file
     2312and follow this tutorial for it. The ratio of the corresponding slope for the
     2313austenite 111 reflection with what we found here should be the Poisson ratio.</p>
    23312314
    23322315</div>
  • Tutorials/TOF Sequential Single Peak Fit/TOF Sequential Single Peak Fit_files/filelist.xml

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  • Tutorials/TOF Sequential Single Peak Fit/TOF Sequential Single Peak Fit_files/props076.xml

    r3547 r3556  
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