Programs in Physics & Physical Chemistry
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|Manuscript Title: A program to analyze series of Mossbauer spectra.|
|Authors: E. Verbiest|
|Program title: MOSAUT AND MOSINP|
|Catalogue identifier: ACEG_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 29(1983)131|
|Programming language: Fortran.|
|Operating system: VMS, RT-11, RSX-11M.|
|RAM: 26K words|
|Word size: 26|
|Peripherals: graph plotter, disc.|
|Keywords: General purpose, Nuclear physics, Mossbauer spectroscopy, Fit, Series of spectra.|
|Classification: 4.9, 17.3.|
Nature of problem:
Analyze a series of Mossbauer spectra by fitting them to a function, describing the physical relations between the Lorentzians and depending on parameters of which some are freely adaptable within given limits, some adaptable within limits but required to be identical for all spectra, and some constant.
A criterion for the quality of a solution is defined (least squared chi- square of individual fits). Begining with the starting parameter values, a sequence of spectra are chosen to be fitted and for each of those some parameters are chosen to be adaptable, to try to improve the quality of the solution. A better solution is retained. The program terminates when none of the available procedures is able to improve the quality more than some required amount.
Maximal 10 spectra of 512 data points each. The fit function can contain 12 amplitude, 12 position and 12 line width parameters and in all 25 parameters. The maximal number of Lorentzians is 24.
Files are opened by calling ASSIGN included in the FORTRAN library supplied by DEC. Two routines (PLOT1, PLOT2) call routines from a plot library and may have to be adapted to the available plotting facilities.
Strongly dependent on the complexity of the problem varying from minutes to several hours on a PDP11/34.
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