PrestoPronto: a code devoted to handling large data sets

The software PrestoPronto consist to a full graphical user interface (GUI) program aimed to execute the analysis of large X-ray Absorption Spectroscopy data sets. Written in Python is free and open source. The code is able to read large datasets, apply calibration, alignment corrections and perform classical data analysis, from the extraction of the signal to EXAFS fit. The package includes also programs with GUIs] to perform, Principal Component Analysis and Linear Combination Fits. The main benefit of this program is allow to follow quickly the evolution of time resolved experiments coming from Quick-EXAFS (QEXAFS) and dispersive EXAFS beamlines.

[1]  Roger J. Dejus,et al.  XOP v2.4: recent developments of the x-ray optics software toolkit , 2011, Optical Engineering + Applications.

[2]  J. Gustafson,et al.  Chemistry of Supported Palladium Nanoparticles during Methane Oxidation , 2015 .

[3]  J. Rehr,et al.  Scattering-matrix formulation of curved-wave multiple-scattering theory: Application to x-ray-absorption fine structure. , 1990, Physical review. B, Condensed matter.

[4]  D. Lützenkirchen-Hecht,et al.  A new flexible monochromator setup for quick scanning x-ray absorption spectroscopy. , 2010, The Review of scientific instruments.

[5]  K. Kohra,et al.  A Dispersive Method of Measuring Extended X-Ray Absorption Fine Structure , 1981 .

[6]  Tadashi Matsushita,et al.  A Fast X-Ray Absorption Spectrometer for Use with Synchrotron Radiation , 1981 .

[7]  A. Demourgues,et al.  Dual Ce4+/Fe3+ Redox Phenomena into Nanocrystalline Ce1–xFexO2–x/2 Solid Solution , 2014 .

[8]  A. Roßberg,et al.  Complexation of uranium(VI) with protocatechuic acid—application of iterative transformation factor analysis to EXAFS spectroscopy , 2003, Analytical and bioanalytical chemistry.

[9]  G. Spinolo,et al.  In Situ Dispersive EXAFS in Electrocatalysis: The Investigation of the Local Structure of IrOx in Chronoamperometric Conditions as a Case Study , 2014 .

[10]  M. Fernández-García,et al.  XANES-TPR Study of Cu-Pd Bimetallic Catalysts: Application of Factor Analysis , 1995 .

[11]  R. Frahm,et al.  Quick scanning exafs: First experiments , 1988 .

[12]  M. Newville,et al.  Lmfit: Non-Linear Least-Square Minimization and Curve-Fitting for Python , 2014 .

[13]  M Newville,et al.  IFEFFIT: interactive XAFS analysis and FEFF fitting. , 2001, Journal of synchrotron radiation.

[14]  John D. Hunter,et al.  Matplotlib: A 2D Graphics Environment , 2007, Computing in Science & Engineering.

[15]  J. Hanson,et al.  In-situ Characterization of Heterogeneous Catalysts , 2013 .

[16]  T. Ressler WinXAS: a program for X-ray absorption spectroscopy data analysis under MS-Windows. , 1998, Journal of synchrotron radiation.

[17]  Edmund R. Malinowski,et al.  Factor Analysis in Chemistry , 1980 .