MXAN performs a quantitative analysis of the XANES energy range. This is based on a comparison between experimental data and many theoretical spectra that are calculated by varying selected structural parameters of an initial putative structure, i.e. a well defined initial geometrical configurations around the absorber. Hundreds of different geometrical configurations are needed to obtain the best fit of the experimental data. The calculations are performed in the energy space without involving any Fourier transform algorithm; polarized spectra can be easily analysed because the calculations are performed within the full multiple scattering approach.
Recently, MXAN has been developed in the framework of the multiple scattering theory and successfully applied to the analysis of several system, both in solid and liquid state. The MXAN procedure,encompasses also the phenomenological broadening and the electronic charge fitting.
|Licenses||Site or group licence|
|Categories||Data analysis XAFS Modelling|
|Hardware Requirements||-||Platforms||Mac OS Linux Windows|
Installed on the central cluster under: /sware/exp/mxan//linux64/ (sequential version) and /sware/exp/mxan//linux64_MPI, and callable via
|Documentation / Tutorials|
User manual available on rnice in /sware/exp/mxan/doc/MXAN_new.doc (not the most recent)
The same manual can be downloaded here
M. Benfatto and S. Della Longa, J. Synchrotron Rad.(2001).8, 1087-1094, "Geometrical fitting of experimental XANES spectra by a full multiple-scattering procedure"
M. Benfatto, A. Congiu-Castellano, A. Daniele and S. Della Longa, J. Synchrotron Rad.(2001).8, 267-269, "MXAN: a new software procedure to perform geometrical fitting of experimental XANES spectra "
M. Benfatto, S. Della Longa and C. R. Natoli, J. Synchrotron Rad.(2003). 10, 51-57, "The MXAN procedure: a new method for analysing the XANES spectra of metalloproteins to obtain structural quantitative information "
K. Hayakawa, K. Hatada, S. Della Longa, P. D'Angelo and M. Benfatto, AIP Conf. Proc.(2007). 882, 111-113
|Instruments||BM08 (ESRF) BM23 (ESRF) ID24 (ESRF)|