Changeset 787

Timestamp:

Dec 4, 2009 5:12:01 PM (14 years ago)

Author:

toby

Message:

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

File:

• trunk/doc/liveplot.html (modified) (11 diffs, 3 props)

trunk/doc/liveplot.html

@@ -70 +70 @@
 spacegroup can be shown superimposed on the "Rietveld plot."
 <LI>
-<IMG SRC="note.gif" alt="Note!">
 Reflection indices (<I>hkl</I> values) can be shown for tickmarks 
 <LI>
-<IMG SRC="note.gif" alt="Note!">
-The cumulative chi<sup>2</sup> function can be plotted.
-<LI>
-<IMG SRC="note.gif" alt="Note!">
+The cumulative chi<sup>2</sup> function or 
+<IMG SRC="new.gif" alt="New!"> (obs-calc)/sigma can be plotted.
+<LI>
 The cursor position can be displayed
 <LI>
-<IMG SRC="note.gif" alt="Note!">
 Plots can be <a href="#export">exported to obtain publication-quality
 graphics.</a>
@@ -256 +253 @@
 
 <P>
+<a name="nexthist"></a>
 <IMG SRC="note.gif" alt="Note!">
 If more than one histogram is available to plot, it is possible to cycle 
@@ -278 +276 @@
 <P>
 <IMG SRC="note.gif" alt="Note!">
-Zoom settings can also be entered manually by pressing the "Z" key. This 
+<a name="manzoom">
+</a>Zoom settings can also be entered manually by pressing the "Z" key. This 
 opens a dialog, as is shown to the right, where the x- or y-axis range
 can be specified. Any value that is not specified is set to the maximum 
@@ -285 +284 @@
 on the manual zoom menu must be used.
 <P>
+<a name="zoomshift"></a>
 <IMG SRC="new.gif" alt="New!">
 To shift the zoom region around, 
@@ -321 +321 @@
 and this function should rise in a smooth line if all points are fitted as 
 statistically expected.
+This can be displayed using the "Cumulative Chi2" item in the Options menu.
 <P>
 In the plot to the right, the cumulative chi<sup>2</sup> function is shown in 
 purple. Note that first peak is not well fit, but the low angle "shoulder" is 
 as important as the peak misfitting, with respect to the chi<sup>2</sup>.
+<P>
+<a name="OmCoS"></a>
+<B>Plotting (Obs-Calc)/Sigma</B>
+A more traditional way to see the data points that have the worst agreement
+between observation and model is to plot the difference between these values,
+but weighted by the reciprocal of the expected uncertainty, <I>e.g.</I> 
+(y<sub>obs,i</sub> - y<sub>calc,i</sub>)/sigma<sub>i</sub>, as defined above.
+The standard plot of (y<sub>obs,i</sub> - y<sub>calc,i</sub>) over-emphasizes
+minor discrepancies in strong peaks while being insensitive to very 
+significant discrepancies in weaker peaks, so the 
+(y<sub>obs,i</sub> - y<sub>calc,i</sub>)/sigma<sub>i</sub> is the more valuable
+plot. 
+This can be displayed using the "(obs-calc)/sigma" item in the Options menu.
+
+<P>
 <br clear=all>
-<P>
-<img SRC="lind.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
+<a name="hkl">
+</a><img SRC="lind.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
 <B>Reflection indices</B>
 are be displayed by pressing "H" or "h" while the
@@ -348 +364 @@
 <P>
 <a name="export"></a>
-<IMG SRC="note.gif" alt="Note!">
 <B>Export plot options</B>
 <UL><LI>
@@ -372 +387 @@
 </UL>
 
+<hr><h2>LIVEPLOT/BKGEDIT Keyboard Shortcuts</h2>
+Frequent users of LIVEPLOT & BKGEDIT will find that many useful actions
+can be performed very easily by learning the following keystroke commands.
+Note that either uppercase or lowercase letters may be used.
+<DL>
+<DT><a href="#hkl">H</a>
+<DD>Labels reflections near cursor
+<DT><a href="#hkl">A</a>
+<DD>Labels all reflections
+<DT><a href="#hkl">D</a>
+<DD>Deletes reflection labels
+<DT><a href="#manzoom">Z</a>
+<DD>Specify zoom range manually
+<DT><a href="#tickmarks">1, 2,...</a>
+<DD>Displays reflection positions (tickmarks) for histogram 1, 2 etc.
+<DT><a href="#nexthist">N</a>
+<DD>Loads next histogram
+<DT><a href="#LiveCursor">L</a>
+<DD>Turns on display of cursor position
+<DT><a href="#zoomshift">arrow keys</A>
+<DD>Moves zoom region around in plot
+</DL>
+
 <hr><h2>LIVEPLOT/BKGEDIT Menu Contents</h2>
 A few of these options are omitted from BKGEDIT.
@@ -377 +415 @@
 <H3>File Menu</H3>
 <DL><DL>
+<a name="tickmarks"></a>
 <DT>Tickmarks
 <DD>Checkbuttons are provided for each phase to determine if tick marks
@@ -426 +465 @@
 <DT>Configure Tickmarks<DD>
 This submenu provides options that controls how tickmarks are displayed.
-<DL><DL>
+<P><DL><DL>
 <DT>Auto locate<DD>
 When this option is selected, tickmarks are placed in different positions
@@ -451 +490 @@
 
 </DL></DL>
+<P>
 <DT>Obs Symbol (Symbol Type)
 <DD>This brings up a menu where the symbol type and size for the 
 observed data points (and for BKGEDIT, the fixed background points) 
 can be selected.
+<P>
 <DT>Symbol Color
 <DD>The colors for all the displayed lines and symbols can be changed here.
+<P>
 <DT>X units
 <DD>The x units can be selected here. The choices are 
 "as collected" (2Theta/TOF/KeV), d-space (A) or Q (A<sup>-1</sup>)
+<P>
 <DT>Y units
 <DD>The intensity values can be normalized by the incident spectrum
@@ -500 +543 @@
 <DD>The causes the Cumulative chi<sup>2</sup> function to be displayed 
 (as <a href="#Cchi2">presented above</a>).
+<DT>(obs-calc)/sigma
+<DD>The causes the (y<sub>obs</sub>-y<sub>calc</sub>)/sigma
+values to be displayed 
+(as <a href="#OmCoS">presented above</a>).
+
 <DT>Save Options
 <DD>Causes many of the options set in this menu to be saved in the