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Blueprint XAS: a Matlab-based toolbox for the fitting and analysis of XAS spectra.

TitleBlueprint XAS: a Matlab-based toolbox for the fitting and analysis of XAS spectra.
Publication TypeJournal Article
Year of Publication2010
AuthorsDelgado-Jaime, MUlises, Mewis, CPhilip, Kennepohl, P
JournalJ. Syncr. Rad.
Volume17
Pagination132–7
Date Publishedjan
ISSN1600-5775
KeywordsALGORITHMS, Computer-Assisted, Data Interpretation, METHODOLOGY, Numerical Analysis, Programming Languages, Software, Statistical, X-ray absorption spectroscopy, X-Ray Absorption Spectroscopy: methods, XAS
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.

URLhttp://www.ncbi.nlm.nih.gov/pubmed/20029122
DOI10.1107/S0909049509046561