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mantidproject
mantid
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5f1f3dd9
Commit
5f1f3dd9
authored
12 years ago
by
Dennis Mikkelson
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RE 6331 Adding WIKI documentation
refs #6331
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6894bf96
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Code/Mantid/Framework/MDEvents/src/IntegrateEllipsoids.cpp
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Code/Mantid/Framework/MDEvents/src/IntegrateEllipsoids.cpp
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/*WIKI*
TODO: Enter a full wiki-markup description of your algorithm here. You can then use the Build/wiki_maker.py script to generate your full wiki page.
* This algorithm will integrate a list of indexed single-crystal diffraction peaks from a
* PeaksWorkspace, using events from an EventWorkspace. The indexed peaks are first
* used to determine a UB matrix. The inverse of that UB matrix is then used to collect
* lists of events that are close to peaks in reciprocal space. An event will be added
* to the list of events for a peak provided that the fractional h,k,l value of that
* event (obtained by applying UB-inverse to the Q-vector) is closer to the h,k,l of that
* peak, than to the h,k,l of any other peak AND the Q-vector for that event is within
* the specified radius of the Q-vector for that peak.
*
* When the lists of events near the peaks have been built, the three principal axes of
* the "cloud" of events near each peak are found, and the standard deviations of the
* projections of the events on each of the three principal axes are calculated. The
* principal axes and standard deviations for the events around a peak in the directions
* of the principal axes are used to determine an ellipsoidal region for the peak and an
* ellipsoidal shell region for the background. The number of events in the peak
* ellipsoid and background ellipsoidal shell are counted and used to determine the net
* integrated intensity of the peak.
*
* The ellipsoidal regions used for the peak and background can be obtained in two ways.
* First, the user may specify the size of the peak ellipsoid and the inner and outer
* size of the background ellipsoid. If these are specified, the values will be used
* for half the length of the major axis of an ellipsoid centered on the peak. The
* major axis is in the direction of the principal axis for which the standard deviation
* in that direction is largest. The other two axes for the ellipsoid are in the
* direction of the other two principal axes and are scaled relative to the major axes
* in proportion to their standard deviations. For example of the standard deviations
* in the direction of the other two princial axes are .8 and .7 times the standard
* deviation in the direction of the major axis, then the ellipse will extend only .8
* and .7 times as far in the direction of those axes, as in the direction of the major
* axis. Overall, the user specified sizes for the PeakSize, BackgroundInnerSize and
* BackgroundOuterSize are similar to the PeakRadius, BackgroundInnerRadius and
* BackgrounOuterRadius for the IntegratePeaksMD algorithm. The difference is that
* the regions used in this algorithm are not spherical, but are ellipsoidal with axis
* directions obtained from the principal axes of the events near a peak and the
* ellipsoid shape (relative axis lengths) determined by the standard deviations in
* the directions of the principal axes.
*
* Second, if the user does not specifiy the size of the peak and background ellipsoids,
* then the three axes of the peak ellipsoid are again set to the principal axes of the
* nearby events and their axis lengths are set to cover a range of plus or minus
* three standard deviations in the axis directions. In this case, the background
* ellipsoidal shell is chosen to have the same volume as the peak ellipsoid and it's
* inner surface is the outer surface of the peak ellipsoid. The outer surface of the
* background ellipsoidal shell is an ellipsoidal surface with the same relative axis
* lengths as the inner surface.
*
*WIKI*/
#include
<iostream>
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