SIXpack: a Graphical User Interface for XAS Analysis Using IFEFFIT

Journal Article · Fri Oct 27 04:00:00 EDT 2006 · Phys.Scripta T115:1011,2005

OSTI ID:894126

Webb, S M

SIXPack (Sam's Interface for XAS analysis Package), a graphical user interface that allows users simple manipulation and analysis of data, is presented. The modules of SIXPack allow users to: (1) load, calibrate, and average raw data files; (2) perform background subtractions; (3) perform principal component analysis and target transforms; (4) perform least squares fitting of data to standards and functions; (5) perform EXAFS fitting to FEFF phase and amplitude files; (6) create single scattering FEFF phase and amplitude files using a periodic table interface. Novel features of the program allow for the fitted correction of XANES spectra due to self-absorption effects in unknown matrices, which is particularly useful for analysis of geochemical and environmental systems. The core of the XAS analysis routine uses IFEFFIT. SIXPack is developed in Python, is installable across many operating systems and platforms, and is freely available with an Open Source license.

• Research Organization: Stanford Linear Accelerator Center (SLAC)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC02-76SF00515
• OSTI ID: 894126
• Report Number(s): SLAC-REPRINT-2005-312
• Journal Information: Phys.Scripta T115:1011,2005, Journal Name: Phys.Scripta T115:1011,2005
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS
ABSORPTION
ABSORPTION SPECTROSCOPY
AMPLITUDES
COMPUTER CALCULATIONS
DATA ANALYSIS
FINE STRUCTURE
MATRICES
Other
OTHER
S CODES
SCATTERING
SELF-ABSORPTION
SPECTRA
TARGETS
X-RAY SPECTROSCOPY