Full and updated GNXAS documentation
GNXAS.
This is an updated handbook of the GNXAS suite of programs, based on the previous version published in 2000 as a paper on TASK Quarterly 4 (4) 575-675 (Gdansk, Poland). The GNXAS suite of programs is a versatile advanced software allowing a complete data-analysis and interpretation of x-ray absorption spectroscopy (XAS) data. The core of the original GNXAS package is conceived to allow scientists to perform accurate multiple-scattering EXAFS calculations of the XAS cross-section achieving a reliable refinement of the structural models in the short-range. These characteristics are useful to take full advantage of the high data quality obtained at modern synchrotron radiation facilities. The philosophy, methodology, and practical usage aspects of the main data-analysis codes are described in details in this book. The procedures for the estimation of statistical errors and for the data analysis of liquid and highly disordered systems are also discussed. The theoretical background for the GNXAS suite of programs is contained in the original papers published in Phys. Rev. B 52, 15122 and 15135 (1995). The main core of the software package is composed of a series of programs for EXAFS (Extended X-ray Absorption Fine Structure) data-analysis (including the main codes crymol, phagen, gnpeak, gnxas, and fitheo) but there are also several utility programs for sample optimization, automatic background subtraction, and edge analysis. Important software presently included in the distribution, sharing various methodology and practical features with the core programs, allows to perform advanced Reverse Monte Carlo (RMC) refinements (rmc-gnxas package), energy or angular dispersive x-ray diffraction calculations (edxrd program), and a general peak-fitting software useful also for powder x-ray diffraction data-analysis (peakfit program). The handbook describes also the new web-based version of the GNXAS suite of programs GNXAS2, that can be used under any operating system by means of a graphical interface working on any common internet browser. The content of this book can be regarded as a full documentation and guide for proper usage of the current version of the GNXAS suite of programs. ORDER using PayPal indicating your FULL SHIPPING ADDRESS send us your name and FULL SHIPPING address first
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