Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] acjl_v1_0.gz(63 Kbytes)
Manuscript Title: MINUIT subroutine for spectra deconvolution.
Authors: C. Lamberti, S. Bordiga, G. Cerrato, C. Morterra, D. Scarano, G. Spoto, A. Zecchina
Program title: ASYMGRAD
Catalogue identifier: ACJL_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 74(1993)119
Programming language: Fortran.
Computer: VAX-6420.
Operating system: VMS V5.3-1.
RAM: 19K words
Word size: 32
Peripherals: graph plotter.
Keywords: Solid state physics, Experiment, Ftir spectroscopy, Minuit, Photoluminescence, Sqw, Spectra deconvolution, Spectra of adsorbed Species.
Classification: 7.4.

Subprograms used:
Cat Id Title Reference
ACWH_v1_0 MINUIT CPC 10(1975)343

Nature of problem:
The deconvolution of experimental spectra can be reduced to a problem of least squares and solved by MINUIT [1] minimization routines [2,3,4].

Every peak must be a function of up to 4 parameters and their number, Np, must be in the range (1 <= Np <= 13). The first restriction is a choice of the authors and can easily be overcome, while the second is a consequence of the utilized Minuit version.

Unusual features:
The curve to be deconvolved must not necessary be a spectrum; every curve (experimental or not) can be separated into its fundamental components.

Running time:
The typical CPU time needed to perform the deconvolution on a VAX-6420 is ranging between few seconds and some minutes.

[1] F. James and M. Roos, Comput. Phys. Commun., 10(1975)343
[2] F. James, Monte Carlo for Particle Physicists (Section 6.1) in: "Methods in Subnuclear Physics", ed. M. Nikolic (Gordon and Breach Publ.) Vol. IV, Part 3.
[3] J.A. Nelder and R. Mead, Comput. J. 7(1965)308.
[4] R. Fletcher, Comput. J. 13(1970)317.