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spoton-integrate: Integrate the spot followed by "spoton"

The "spoton-integrate" program integrates the spots followed by the spoton program. It calculates the so called incidence coefficient of the detector. It also tabulates the result to make graphical representation possible.

Usage

The program is invoked by the command line:

spoton-integrate [xfilename] [hkl=h,k,l] [options] [directoryname]

The "hkl" and "xfilename" options given should be identical to the ones specified to spoton. If "spoton" was run with the "make" option, the hkl argument can be automatically retrieved from the "spoton.args" file.

The program will look for a subdirectory "near" and a subdirectory "far" of the current directory (or a specified directory). It expects a series of "spoton" measurements (s???f1.kcd) in each of these two directories. Results for the integrations will be in "spoton-near.dat" and "spoton-far.dat"

If neither a "near" nor a "far" subdirectory is found, images s???f1.kcd in the current (or specified) directory itself will be integrated. The result will be in "spoton.dat".

Analysis

A good way to analyze the results is to run a script like this:

#!/bin/sh
awk '{print 1.0-$3 " " $1}' spoton-near.dat > near.dat
awk '{print 1.0-$3 " " $1}' spoton-far.dat > far.dat
common='nx 1 ny 2 lin 1 sx 0 ex .4 sy 125000 ey 150000 outfi sensi.fig xtext 1-cos(angle_of_incidence) ytext integrated_intensity'
scatter near.dat $common lsql
scatter far.dat $common append
xfig sensi.fig

The program scatter is required for this analysis.

The incidence coefficient is the slope of the least squares line divided by the intercept. It is normally around +0.4 for MoKa radiation on a KappaCCD.

The incidence coefficient will be part of a single detector calibration data file in the future. For now, it should be typed as the first line of a file, and this file should be stored in the calibration directory under the name "XX-incidence.coefficient", with the symbol associated with the wavelength filled in on the XX (e.g. MO-incidence.coefficient).

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