Fitting of measured spectra with adapted multiX model parameters

AMOE_mult

finds semi-empirical multiX parameters for a better fit to an experimental spectrum.
Patiently minimizes the RMS of the residual difference theo-exp under user control using the simplex method for one or several model spectra.
use: nohup AMOE_mult &
Any numerical parameter in a multiX INPUT file can be subject to bounded variation by tagging it as a variable in a prototype INPUT file for multiX an defining its bounds in the control file input_amoe.

full downloadable set of commented example files:

input_amoe ,	guide input file defining spectra, models and model parameters,
i_XAS0 ,	prototype multiX INPUT file with variable parameters controlled by AMOE_mult,
XAS_SrTiO3 ,	file with measured spectrum,
xas_SrTiO3_fit.png ,	graph.ps file showing experiment, fit and residual,
nohup.out ,	record of optimization progress
comments.



example files for fitting multiple spectra with multiple models for each spectrum, due to chemically inequivalent sites"
• input_amoe , i_XMCD_g , i_XMCD_g4c , i_XMLD, i_XMLD_4c, fit_of_4_spectra,
  Note that the measured spectra and not the difference spectra XMCD XLD XMLD are chosen to be fitted.
  The current AMOE_mult keeps multix spectral files for each spectral contribution as s_.... files ,
  it also keeps the corresponding multiX output files as u_... files .
  The latest found optimal fit parameters are kept in the inp_lo file .
  The latest established optimal fit is documented in the graph.ps file and eventually overwritten with experimental spectrum: blue, fit: red and residual: green.