Jan 21, 2017 3:11:39 PM (5 years ago)

fix Update bug; Enhancements for Peak List: widen selected peak line; remove peak highlight on cell selection; add double-click on labels; change Tutorial limits fig.

1 edited


  • trunk/help/gsasII.html

    r2611 r2653  
    36193619  <LI>Menu <B><A name="Calculate_menu">Calculate</A></B>
    36203620  <DL style='margin-left:.2in'>
    3621     <DT><b>Make new PDFs</b>
     3621    <DT><b>Setup PDFs</b>
    36223622    <DD>This creates the pair distribution function (PDF) controls for
    3623   each powder pattern selected in the dialog box. See <b><a
    3624   href="#PDF_Controls">PDF Controls</a></b> for further directions.
     3623  each powder pattern selected in the dialog box, but does not compute
     3624  the PDF, which must be done from <b><a
     3625  href="#PDF">PDF tree entries</a></b>. See <b><a
     3626  href="#PDF_Controls">PDF Controls</a></b> for information on the PDF
     3627  input.
    36253628    <DT><b>View LS parms</b>
    36263629    <DD>This shows a dialog box with all the parameters for your
    49834986<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
    4984 "Times New Roman"'>This window shows the list of peaks that will be used by the
    4985 peak fitting refinement. It is filled by picking peaks in the powder pattern
    4986 displayed in the GSASII Plots window as a sequence of ‘+’ marks.<span
    4987 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    4988 text-underline:none'><o:p></o:p></span></span></span></p>
     4987"Times New Roman"'>The Peak List data tree entry is used to fit
     4988diffraction peaks at user-supplied positions (not generated from a
     4989unit cell). Peak positions and intensities may be selected for
     4990individual refinement. Gaussian (sigma) and
     4991Lorentzian (gamma) peak widths may be varied individually or the values
     4992may be generated from the U,V & W (sigma) and X & Y (gamma) values in the Instrument
     4993Parameters tree item: If individual values are
     4994refined, then the value in the table is used. If values are not
     4995refined, then those determined by U,V & W and/or X & Y are placed in
     4996the table and are used. Likewise, the background is generated using the parameters in
     4997the Background data tree entry and the range of data used in the fit
     4998is set from the Limits tree item. Note that optionally the parameters on
     4999the Background and in the Instrument
     5000Parameters tree items may be refined as peak settings are fitted.
    49905003<h5 style='margin-left:.5in'>
    49915004What can I do here?</a></h5>
    4993 <h5 style='margin-left:81.0pt;text-indent:-.25in;mso-list:l13 level1 lfo22'><span
    4994 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    4995 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    4996 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    4997 style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    4998 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    4999 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    5000 bold'>Menu ‘</span></span><span style='mso-bookmark:Index_Peaks'><span
    5001 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Peak Fitting</span></span><span
    5002 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    5003 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>’ – <span
    5004 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5005 text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5007 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5008 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5009 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5010 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5011 none;text-underline:none'><span style='mso-list:Ignore'>a.<span
    5012 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5013 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Auto search</span></span><span
    5014 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    5015 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – this fills
     5006<P style='margin-left:1.0in'>
     5007There are three ways to interact with Peak List data tree item:
     5008through its menu, labeled <B>Peak Fitting</B>, through interaction
     5009with the peak list table, and through interactions with the plot.
     5012<P style='margin-left:1.0in'>
     5013The following interactions are available with the peak table:
     5014      </P>
     5017      <LI style='margin-left:1.25in'>
     5018You can change individual
     5019peak coefficient values. Enter the value then press Enter or Tab or click the
     5020mouse elsewhere in the Peak List window. This will set the new value.
     5021      </LI><P>
     5022      <LI style='margin-left:1.25in'>
     5023      You can change the individual refine flags either by
     5024clicking on the check boxes.
     5025      </LI><P>
     5026      <LI style='margin-left:1.25in'>
     5027      You can change all refine flags in a column by clicking on a single one
     5028      and then click on the column label above. The entire column
     5029      should be highlighted in blue.
     5030      Type ‘y’ to set the refine flags or ‘n’ to clear the flags. This
     5031      can also be done by double-clicking on the column label, which
     5032      brings up a menu.
     5033      </LI><P>
     5034      <LI style='margin-left:1.25in'> 
     5035You can delete peaks in the Peak List by selecting a row by clicking
     5036      on the row label to the left (multiple selection of rows is
     5037      allowed). Selected rows will be highlighted in the plot (see
     5038      below). Then press the Delete or backspace key. (Note that peaks
     5039      can also be deleted from the plot, see below.)
     5040      </LI><P>
     5041      <LI style='margin-left:1.25in'> 
     5042You can highlight a peak by clicking or double-clicking on the row
     5043label (to the left) for a peak. The color of the line will change from
     5044blue to green.</LI>
     5047<P style='margin-left:1.0in'>
     5048The <B>Peak Fitting</B> menu contains the following commands:</P>
     5050<DL style='margin-left:1.25in'>
     5051  <DT>Set sel. ref flags</DT>
     5052  <DD>If one or more row of peaks are selected by clicking on the peak
     5053  label to the left, this menu item can be used to set the refinement
     5054  flags for the selected reflections.
     5055    </DD>
     5056  <DT>Set all ref flags</DT>
     5057  <DD>This sets refinement flags for all peaks in the table.
     5058    </DD>
     5059  <DT>Auto search</DT>
     5060  <DD>
     5061    This fills
    50165062the table with peak positions. These are selected based on peak tops that are
    50175063substantially above background. Noisy data will give spurious peaks and small
    5018 peaks or shoulders will not be found. Examine results &amp; modify as needed.<span
    5019 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5020 text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5022 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5023 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5024 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5025 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5026 none;text-underline:none'><span style='mso-list:Ignore'>b.<span
    5027 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5028 class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
    5029 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    5030 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – resets peak
     5064peaks or shoulders will not be found. Examine results &amp; modify as
     5065  needed.
     5066    </DD>
     5067      <DT>UnDo</DT>
     5068      <DD>Resets peak
    50315069parameters, background and instrument parameter values varied in the last peak
    50325070fitting refinement back to their original values. Use this to recover from a
    5033 failed refinement. Note:<span style='mso-spacerun:yes'>  </span>there is only a
    5034 single level of recovery available.<span class=MsoHyperlink><span
    5035 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5037 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5038 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5039 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5040 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5041 none;text-underline:none'><span style='mso-list:Ignore'>c.<span
    5042 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5043 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
    5044 class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
    5045 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5046 normal;mso-bidi-font-weight:bold'> – perform a least squares fit of the peaks
     5071failed refinement. Note: only one previous refinement is saved, so
     5072  this cannot be pressed twice to return to the refinement before the
     5073  previous.
     5075      <DT>PeakFit</DT>
     5076      <DD>Performs a least squares fit of the peaks
    50475077in Peak List to the data. Any peak parameters, background parameters and
    50485078instrument parameters with refine checked will be varied in this refinement.
    50555085are widely different, their individual sigma and gamma parameters may be
    50565086refined. If the refinement results in negative peak coefficients, these will be
    5057 highlighted in red. If this happens, you should </span></span><span
    5058 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    5059 color:windowtext'>UnDo</span></span><span style='mso-bookmark:Index_Peaks'><span
    5060 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5061 normal;mso-bidi-font-weight:bold'> the refinement and reconsider your choice of
    5062 parameters to be varied.<span class=MsoHyperlink><span style='color:windowtext;
    5063 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5065 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5066 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5067 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5068 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5069 none;text-underline:none'><span style='mso-list:Ignore'>d.<span
    5070 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5071 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
    5072 cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
    5073 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5074 normal;mso-bidi-font-weight:bold'>– perform a single cycle of least squares
     5087highlighted in red. If this happens, you should use the <B>UnDo</B>
     5088      menu item (above) to return to the refinement and reconsider your choice of
     5089parameters to be varied.
     5090        </DD>
     5092      <DT>LSQ one cycle </DT>
     5093      <DD>       
     5094        Perform a single cycle of least squares
    50755095refinement. This can be used in difficult cases to get a refinement started
    5076 toward convergence.<span class=MsoHyperlink><span style='color:windowtext;
    5077 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5079 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5080 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5081 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5082 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5083 none;text-underline:none'><span style='mso-list:Ignore'>e.<span
    5084 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5085 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
    5086 and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
    5087 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5088 normal;mso-bidi-font-weight:bold'>– this resets the values of sigma and gamma
    5089 to those computed from the instrument parameters U, V, W, X &amp; Y.<span
    5090 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5091 text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5093 <h5 style='margin-left:1.5in;text-indent:-.25in;mso-list:l13 level2 lfo22;
    5094 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5095 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5096 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
    5097 none;text-underline:none'><span style='mso-list:Ignore'>f.<span
    5098 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5099 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5100 "Times New Roman";color:windowtext'>Clear peaks </span></span><span
    5101 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    5102 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>– this removes
    5103 all the peaks from the Peak List.<span class=MsoHyperlink><span
    5104 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5106 <h5 style='margin-left:81.0pt;text-indent:-.25in;mso-list:l13 level1 lfo22'><span
    5107 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    5108 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5109 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    5110 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5111 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5112 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    5113 bold'>You can add peaks to the Peak list using the mouse on the plot by: 1)
    5114 position the pointer near to the top point on a peak, 2) press the left mouse
    5115 button. The selected peak will be added to the Peak List in its correct sorted
    5116 order and a blue vertical line will be plotted on that position. Be sure that
    5117 the Zoom/Pan buttons are not selected on the Plot window. We recommend that you
     5096toward convergence.
     5097        </DD>
     5099      <DT>Reset sig and gam </DT>
     5100      <DD>       
     5101        This resets the values of sigma and gamma in the table
     5102to those computed from the instrument parameters U, V, W, X &amp; Y.
     5103        </DD>
     5105      <DT>Peak copy</DT>
     5106      <DD>Copy the currebt set of peaks to other histogram(s)
     5107        </DD>
     5109      <DT>Seq PeakFit</DT>
     5110      <DD>Fit peaks for multiple histograms       
     5111        </DD>
     5113      <DT>Clear peaks</DT>
     5114      <DD>This removes all the peaks from the Peak List.
     5115        </DD>
     5117      <DT>Move selected peak</DT>
     5118      <DD>
     5119        A peak may be moved using the following process: select it
     5120      in the table by clicking on its label (to left), use this menu
     5121      item. The peak line will then follow movement of the mouse in
     5122      the plot window. Click with the left mouse button to set a new
     5123      position. Click with the right mouse button to delete that
     5124      peak. Click outside the axes to abort the move and return to the
     5125      previous position. (Note that peak movement is also possible
     5126      with the plot window, see below.)
     5127        </DD>
     5128      </DL>
     5130<h5 style='margin-left:.5in'><span
     5131style='mso-fareast-font-family:"Times New Roman"'>
     5132What is plotted here?</span></h5>
     5133<P style='margin-left:1.0in'>
     5134The plot window shows the observed and computed patterns, as well as
     5135the background and peak positions. Observed points are shown as blue
     5136crosses (+) and the fitted pattern is shown as a solid green line. The
     5137background is shown as a red line and the difference curve is shown as
     5138a cyan (turquoise) line, below the observed and computed
     5139pattern. Peak positions are shown as vertical blue lines (or
     5140green when selected). The upper and lower data limits are shown as red
     5141and green dashed vertical lines, respectively.
     5144<h5 style='margin-left:.5in'><span
     5145style='mso-fareast-font-family:"Times New Roman"'>
     5146What can I do with the plot?</span></h5>
     5148<P style='margin-left:1.0in'>
     5149For all actions involving mouse clicks such as those below, be sure that
     5150the Zoom/Pan buttons are not selected on the Plot window, as the mouse
     5151clicks will be used for zooming or panning, not the desired action.
     5153<LI style='margin-left:1.25in'>
     5154You can add peaks to the Peak list using the mouse on the plot by:
     5155position the cursor pointer onto a cross for an observed point and
     5156pressing the left mouse
     5157button. The selected peak will be added to the Peak List in the
     5158appropriate position to keep peaks sorted
     5159and a blue vertical line will be plotted on that position. We recommend that you
    51185160begin picking peaks from the right side of the pattern; that way the tool tip
    5119 won’t be in your way as you select peaks.<span class=MsoHyperlink><span
    5120 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5122 <h5 style='margin-left:81.0pt;text-indent:-.25in;mso-list:l13 level1 lfo22'><span
    5123 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    5124 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5125 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    5126 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5127 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5128 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    5129 bold'>You can move a Peak List item using the mouse on the plot by: 1) position
    5130 the pointer on the blue line for the peak you wish to move, 2) holding the left
    5131 mouse button down, drag to the desired position &amp; then release the button.
    5132 The peak line will be drawn in the new position. Be sure that the Zoom/Pan
    5133 buttons are not selected on the Plot window.<span class=MsoHyperlink><span
    5134 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
    5136 <p class=MsoListParagraphCxSpFirst style='margin-left:81.0pt;mso-add-space:
    5137 auto;text-indent:-.25in;mso-list:l13 level1 lfo22'><span style='mso-bookmark:
    5138 Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    5139 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
    5140 none;text-underline:none'><span style='mso-list:Ignore'>4.<span
    5141 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></span><![endif]><span
    5142 style='mso-fareast-font-family:"Times New Roman"'>You can change individual
    5143 peak coefficient values. Enter the value then press Enter or Tab or click the
    5144 mouse elsewhere in the Peak List window. This will set the new value.<span
    5145 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5146 text-underline:none'><o:p></o:p></span></span></span></span></p>
    5148 <p class=MsoListParagraphCxSpLast style='margin-left:81.0pt;mso-add-space:auto;
    5149 text-indent:-.25in;mso-list:l13 level1 lfo22'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    5150 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
    5151 color:windowtext;text-decoration:none;text-underline:none'><span
    5152 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5153 </span></span></span></span><![endif]>You can change the refine flags either by
    5154 clicking on the box or by selecting one and then selecting the column (a single
    5155 click on the column heading; column should show in blue). Then type ‘y’ to set
    5156 the refine flags or ‘n’ to clear the flags. </span><span style='mso-bookmark:
    5157 Index_Peaks'><span class=MsoHyperlink><span style='mso-fareast-font-family:
    5158 "Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
    5160 <h5 style='margin-left:81.0pt;text-indent:-.25in;mso-list:l13 level1 lfo22'><span
    5161 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span class=MsoHyperlink><span
    5162 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    5163 normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
    5164 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5165 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
    5166 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    5167 bold'>You can delete peaks in the Peak List by selecting rows (should appear in
    5168 blue) and then pressing the Delete key. You can also delete peaks using the
     5161won’t be in your way as you select peaks.
     5162      </LI><P>
     5163<LI style='margin-left:1.25in'>   
     5164You can delete peaks using the
    51695165mouse on the plot by positioning the pointer on the blue line for the peak to
    51705166be deleted and then pressing the right mouse button. The blue line should
    5171 vanish and the corresponding peak will be removed from the Peak List. Be sure
    5172 that the Zoom/Pan buttons are not selected on the Plot window.<span
    5173 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
    5174 text-underline:none'><o:p></o:p></span></span></span></span></h5>
     5167vanish and the corresponding peak will be removed from the Peak
     5169      </LI><P>
     5170<LI style='margin-left:1.25in'> 
     5171You can move a Peak List item using the mouse on the plot by: position
     5172the pointer on the blue line for the peak you wish to move and then hold the left
     5173mouse button down, dragging the line to the desired position. When the
     5174mouse button is released, the peak line will be drawn in the new
     5176      </LI><P>
     5177<LI style='margin-left:1.25in'>
     5178The fit limits can be changed without selecting the Limits item in the
     5179data tree from the plot. Change the upper and lower Tmin values by clicking on the
     5180appropriate vertical line and dragging it to the right or left.
    51765183<h4 style='margin-left:0.25in'><a name="PWDR_Index_Peak_List"></a><u>
    51775184Index Peak List</u></a></h4>
    55365543<p class=MsoNormal style='margin-left:.5in'>
    55375544A PDF entry is created from a <a href="#PWDR">powder histogram (PWDR
    5538 entry)</a> using the <b>Make new PDFs</b> entry in the <A
     5545entry)</a> using the <b>Setup PDFs</b> entry in the <A
    55395546href="#Calculate_menu">Calculate menu</A>. The main PDF data tree item
    5540 has no parameters and provides no new menu items. When this item is
    5541 selected, the <a href="#PDF_I_Q">I(Q) function</a> is plotted, see below.
     5547displays the same window as the PDF Controls, below. When this item is
     5548selected, the <a href="#PDF_S_Q">S(Q) function</a> is plotted, see below.
    55435550<h4 style='margin-left:0.25in'><a name="PDF_Controls">PDF Controls</a></h4>
    55535560<a href="#PDF_G_R">G(R) functions</a> to be plotted, as described
     5563<p class=MsoNormal style='margin-left:.5in'>The Optimize PDF button
     5564can be used to refine the values of the "Flat Bkg", "Background ratio"
     5565and "Ruland width" parameters to best agree with the -4*pi*r line that
     5566is plotted for r < Rmin. Rmin should be set to a distance below the
     5567shortest expected interatomic distance for the material.
    55835596    forced with this menu item.
    55845597  <DT>Compute all PDFs
    5585   <DD>Recomputes the PDFs for all PDF entries. This is usually done
    5586     after Copy Controls is used.
     5598  <DD>Recomputes the PDFs for all selected PDF entries. This is usually done
     5599    after Copy Controls is used. By default PDFs are optimized to
     5600    reduce the low G(r) region, but this can be turned off.
    72007214<hr size=2 width="100%" align=center>
    7202 <!-- hhmts start -->Last modified: Wed Jan  4 16:40:54 CST 2017 <!-- hhmts end -->
     7216<!-- hhmts start -->Last modified: Sat Jan 21 14:53:49 CST 2017 <!-- hhmts end -->
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