Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] acgf_v1_0.gz(34 Kbytes)|
|Manuscript Title: SPECFIT: an interactive package for Mossbauer spectra fitting with personal computers.|
|Authors: F.D. Barb, O. Netoiu, M. Sorescu, M. Weiss|
|Program title: SPECFIT|
|Catalogue identifier: ACGF_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 69(1992)182|
|Programming language: Fortran.|
|Computer: IBM PC/AT.|
|Operating system: MS-DOS 3.3.|
|RAM: 1000K words|
|Word size: 16|
|Peripherals: graph plotter, disc.|
|Keywords: Nuclear physics, Mossbauer spectrum, Fitting, Least squares Determination, Modified gauss-newton Algorithm.|
Nature of problem:
This package performs fitting of transmission Mossbauer spectra on personal computers by using Lorentzian peaks and a parabolic baseline.
The least squares determination of non-linear parameters of the Mossbauer spectra is performed using a recently developed modified Gauss-Newton algorithm.
SPECFIT can perform Mossbauer curve fitting for maximum 1024 channels and 64 parameters. Asymmetric doublets are considered as two singlets.
SPECFIT makes use of a powerful package of portable FORTRAN routines BIMASC and multiple graphical facilities provided by the engineering graphics processor DISPLAY are available. The package includes a spectra calibration task and makes possible the fitting to be performed on the same computer used to read-out the data. All functions are performed by means of a command language and predefined command sequences can be used.
About 10 minutes to reach the saturation values of the parameters after 3 iterations for a hematite six-line spectrum.
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