Changeset 787

Dec 4, 2009 5:12:01 PM (11 years ago)

# on 2004/04/27 15:43:17, toby did:
new features: obs-calc/sig, plot zooming, new doc section

1 edited


  • trunk/doc/liveplot.html

    • Property rcs:date changed from 2004/04/27 14:49:32 to 2004/04/27 15:43:17
    • Property rcs:lines changed from +10 -1 to +59 -11
    • Property rcs:rev changed from 1.15 to 1.16
    r785 r787  
    7070spacegroup can be shown superimposed on the "Rietveld plot."
    72 <IMG SRC="note.gif" alt="Note!">
    7372Reflection indices (<I>hkl</I> values) can be shown for tickmarks
    75 <IMG SRC="note.gif" alt="Note!">
    76 The cumulative chi<sup>2</sup> function can be plotted.
    77 <LI>
    78 <IMG SRC="note.gif" alt="Note!">
     74The cumulative chi<sup>2</sup> function or
     75<IMG SRC="new.gif" alt="New!"> (obs-calc)/sigma can be plotted.
    7977The cursor position can be displayed
    81 <IMG SRC="note.gif" alt="Note!">
    8279Plots can be <a href="#export">exported to obtain publication-quality
     255<a name="nexthist"></a>
    258256<IMG SRC="note.gif" alt="Note!">
    259257If more than one histogram is available to plot, it is possible to cycle
    279277<IMG SRC="note.gif" alt="Note!">
    280 Zoom settings can also be entered manually by pressing the "Z" key. This
     278<a name="manzoom">
     279</a>Zoom settings can also be entered manually by pressing the "Z" key. This
    281280opens a dialog, as is shown to the right, where the x- or y-axis range
    282281can be specified. Any value that is not specified is set to the maximum
    285284on the manual zoom menu must be used.
     286<a name="zoomshift"></a>
    287287<IMG SRC="new.gif" alt="New!">
    288288To shift the zoom region around,
    321321and this function should rise in a smooth line if all points are fitted as
    322322statistically expected.
     323This can be displayed using the "Cumulative Chi2" item in the Options menu.
    324325In the plot to the right, the cumulative chi<sup>2</sup> function is shown in
    325326purple. Note that first peak is not well fit, but the low angle "shoulder" is
    326327as important as the peak misfitting, with respect to the chi<sup>2</sup>.
     329<a name="OmCoS"></a>
     330<B>Plotting (Obs-Calc)/Sigma</B>
     331A more traditional way to see the data points that have the worst agreement
     332between observation and model is to plot the difference between these values,
     333but weighted by the reciprocal of the expected uncertainty, <I>e.g.</I>
     334(y<sub>obs,i</sub> - y<sub>calc,i</sub>)/sigma<sub>i</sub>, as defined above.
     335The standard plot of (y<sub>obs,i</sub> - y<sub>calc,i</sub>) over-emphasizes
     336minor discrepancies in strong peaks while being insensitive to very
     337significant discrepancies in weaker peaks, so the
     338(y<sub>obs,i</sub> - y<sub>calc,i</sub>)/sigma<sub>i</sub> is the more valuable
     340This can be displayed using the "(obs-calc)/sigma" item in the Options menu.
    327343<br clear=all>
    328 <P>
    329 <img SRC="lind.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
     344<a name="hkl">
     345</a><img SRC="lind.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
    330346<B>Reflection indices</B>
    331347are be displayed by pressing "H" or "h" while the
    349365<a name="export"></a>
    350 <IMG SRC="note.gif" alt="Note!">
    351366<B>Export plot options</B>
     389<hr><h2>LIVEPLOT/BKGEDIT Keyboard Shortcuts</h2>
     390Frequent users of LIVEPLOT & BKGEDIT will find that many useful actions
     391can be performed very easily by learning the following keystroke commands.
     392Note that either uppercase or lowercase letters may be used.
     394<DT><a href="#hkl">H</a>
     395<DD>Labels reflections near cursor
     396<DT><a href="#hkl">A</a>
     397<DD>Labels all reflections
     398<DT><a href="#hkl">D</a>
     399<DD>Deletes reflection labels
     400<DT><a href="#manzoom">Z</a>
     401<DD>Specify zoom range manually
     402<DT><a href="#tickmarks">1, 2,...</a>
     403<DD>Displays reflection positions (tickmarks) for histogram 1, 2 etc.
     404<DT><a href="#nexthist">N</a>
     405<DD>Loads next histogram
     406<DT><a href="#LiveCursor">L</a>
     407<DD>Turns on display of cursor position
     408<DT><a href="#zoomshift">arrow keys</A>
     409<DD>Moves zoom region around in plot
    374412<hr><h2>LIVEPLOT/BKGEDIT Menu Contents</h2>
    375413A few of these options are omitted from BKGEDIT.
    377415<H3>File Menu</H3>
     417<a name="tickmarks"></a>
    380419<DD>Checkbuttons are provided for each phase to determine if tick marks
    426465<DT>Configure Tickmarks<DD>
    427466This submenu provides options that controls how tickmarks are displayed.
    428 <DL><DL>
    429468<DT>Auto locate<DD>
    430469When this option is selected, tickmarks are placed in different positions
    453493<DT>Obs Symbol (Symbol Type)
    454494<DD>This brings up a menu where the symbol type and size for the
    455495observed data points (and for BKGEDIT, the fixed background points)
    456496can be selected.
    457498<DT>Symbol Color
    458499<DD>The colors for all the displayed lines and symbols can be changed here.
    459501<DT>X units
    460502<DD>The x units can be selected here. The choices are
    461503"as collected" (2Theta/TOF/KeV), d-space (A) or Q (A<sup>-1</sup>)
    462505<DT>Y units
    463506<DD>The intensity values can be normalized by the incident spectrum
    500543<DD>The causes the Cumulative chi<sup>2</sup> function to be displayed
    501544(as <a href="#Cchi2">presented above</a>).
     546<DD>The causes the (y<sub>obs</sub>-y<sub>calc</sub>)/sigma
     547values to be displayed
     548(as <a href="#OmCoS">presented above</a>).
    502550<DT>Save Options
    503551<DD>Causes many of the options set in this menu to be saved in the
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