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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.
Classification: 17.3.

Nature of problem:
This package performs fitting of transmission Mossbauer spectra on personal computers by using Lorentzian peaks and a parabolic baseline.

Solution method:
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.

Unusual features:
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.

Running time:
About 10 minutes to reach the saturation values of the parameters after 3 iterations for a hematite six-line spectrum.