Programs in Physics & Physical Chemistry
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|Manuscript Title: Slit height smearing correction in small angle X-ray scattering IV: computation of the correction function for an arbitrary slit transmission function.|
|Authors: M. Deutsch|
|Program title: GTSPLINE|
|Catalogue identifier: AASD_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 18(1979)149|
|Programming language: Fortran.|
|Computer: IBM 370/168.|
|Operating system: OS/VS2.|
|RAM: 27K words|
|Word size: 32|
|Keywords: Crystallography, X-ray, Scattering, Diffraction, Smearing, Slit, Small-angle.|
Nature of problem:
The author's previously published program for correcting slit height smeared data measured in small angle X-ray scattering experiments requires the use of a correction function g(t), which is related to the slit transmission function f(t). The present program calculates the required correction function for an arbitrary slit function, given its numerical values.
A piecewise cubic spline function is fitted to the measured values of the slit transmission function. The fit parameters define an analytically calculated transform of the slit function F^, similar to usual Laplace transform. F^ is then Laplace-inverted numerically to give a set of discrete values of the correction function g(ti), i=1,...,n. Finally, another spline function is fitted to these values, yielding a continuous representation of the desired correction function g(t).
Only 100 measured values of the slit transmission function are allowed in the present version.
About 160 s for 75 transmission function values.
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