@article {Delgado-Jaime2010a,
	title = {Blueprint XAS: a Matlab-based toolbox for the fitting and analysis of XAS spectra.},
	journal = {J. Syncr. Rad.},
	volume = {17},
	number = {1},
	year = {2010},
	month = {jan},
	pages = {132{\textendash}7},
	abstract = {Blueprint XAS is a new Matlab-based program developed to fit and analyse X-ray absorption spectroscopy (XAS) data, most specifically in the near-edge region of the spectrum. The program is based on a methodology that introduces a novel background model into the complete fit model and that is capable of generating any number of independent fits with minimal introduction of user bias [Delgado-Jaime \& Kennepohl (2010), J. Synchrotron Rad. 17, 119-128]. The functions and settings on the five panels of its graphical user interface are designed to suit the needs of near-edge XAS data analyzers. A batch function allows for the setting of multiple jobs to be run with Matlab in the background. A unique statistics panel allows the user to analyse a family of independent fits, to evaluate fit models and to draw statistically supported conclusions. The version introduced here (v0.2) is currently a toolbox for Matlab. Future stand-alone versions of the program will also incorporate several other new features to create a full package of tools for XAS data processing.},
	keywords = {ALGORITHMS, Computer-Assisted, Data Interpretation, METHODOLOGY, Numerical Analysis, Programming Languages, Software, Statistical, X-ray absorption spectroscopy, X-Ray Absorption Spectroscopy: methods, XAS},
	issn = {1600-5775},
	doi = {10.1107/S0909049509046561},
	url = {http://www.ncbi.nlm.nih.gov/pubmed/20029122},
	author = {Delgado-Jaime, Mario Ulises and Mewis, Craig Philip and Kennepohl, Pierre}
}
@article {Delgado-Jaime2010,
	title = {Development and exploration of a new methodology for the fitting and analysis of XAS data.},
	journal = {Journal of synchrotron radiation},
	volume = {17},
	number = {1},
	year = {2010},
	month = {jan},
	pages = {119{\textendash}28},
	abstract = {A new data analysis methodology for X-ray absorption near-edge spectroscopy (XANES) is introduced and tested using several examples. The methodology has been implemented within the context of a new Matlab-based program discussed in a companion related article [Delgado-Jaime et al. (2010), J. Synchrotron Rad. 17, 132-137]. The approach makes use of a Monte Carlo search method to seek appropriate starting points for a fit model, allowing for the generation of a large number of independent fits with minimal user-induced bias. The applicability of this methodology is tested using various data sets on the Cl K-edge XAS data for tetragonal CuCl(4)(2-), a common reference compound used for calibration and covalency estimation in M-Cl bonds. A new background model function that effectively blends together background profiles with spectral features is an important component of the discussed methodology. The development of a robust evaluation function to fit multiple-edge data is discussed and the implications regarding standard approaches to data analysis are discussed and explored within these examples.},
	keywords = {ALGORITHMS, Computer-Assisted, Data Interpretation, METHODOLOGY, Numerical Analysis, Software, Software Design, Statistical, X-ray absorption spectroscopy, X-Ray Absorption Spectroscopy: methods, XAS},
	issn = {1600-5775},
	doi = {10.1107/S090904950904655X},
	url = {http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=2816928\&tool=pmcentrez\&rendertype=abstract},
	author = {Delgado-Jaime, Mario Ulises and Kennepohl, Pierre}
}
