45 lines
1.7 KiB
OpenEdge ABL
45 lines
1.7 KiB
OpenEdge ABL
\subsection{Integrate}
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For four circle diffractometers it is usefull to be able to integrate the
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intensity of the peak from a collected counting profile. This module does
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just this. It uses the method as described by Grant \& Gabe in J. Appl. Cryst
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(1987), 11, 114-120. This method uses a moving window technique for finding
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the limits of the peak. This method was choosen for reason of its
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simplicity. The authors state, that the results are comparable to the
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Lehmann Larsen method used elsewhere. This is a utility module. Just a
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single function is implemented:
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@o integrate.h @{
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/*--------------------------------------------------------------------------
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I N T E G R A T E
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Peak integration follwing the method described by Grant & Gabe in
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J. Appl. Cryst (1978), 11, 114-120.
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Mark Koennecke, March 1998
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----------------------------------------------------------------------------*/
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#ifndef GABEINTEGRATE
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#define GABEINTEGRATE
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#define INTEGLEFT -1
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#define INTEGRIGHT -2
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#define INTEGNOPEAK -3
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#define INTEGFUNNYBACK -4
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int GabePeakIntegrate(int m, int iCounts, long lCounts[],
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float *fIntens, float *fVariance);
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#endif
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@}
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Input to this routine is the number of counts and the counts themselves.
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Then m, the number of lookahead points to use. As a result fIntens will
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contain the summed Intensity and fVariance the sigma of the summed
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intensity. The function retusn 1 for success or a negative error code in
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case of trouble. These error codes are:
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\begin{description}
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\item[INTEGLEFT] no left side background found.
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\item[INTEGRIGHT] nor right side background found.
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\item[INTEGNOPEAK] The data does not contain a peak.
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\item[INTEGFUNNYBACK] the data has a strange background.
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\end{description}
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