SIXPACK
What is SIXPACK?
SIXPACK is Sam's Interface for XAS Package, a software
package for x-ray absorption spectroscopy data
The interface builds on Matt Newville's IFEFFIT engine
It contains the following modules:
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Averaging, calibrating, and deadtime correcting raw data
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Background subtraction of data to create normalized mu(E) and chi(k) functions
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A FEFF periodic table interface to create single scattering phase and amplitude paths - Now compatible with FEFF6 through FEFF8.
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A GUI for the fitting of experimental EXAFS to theoretically derived phase and amplitude files
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A GUI for linear combination fitting of EXAFS or XANES to experimentally obtained reference spectra
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A principal component analysis routine that decomposes data into a set of orthogonal components. Also features a target transformation feature to check if potential reference spectra are in the component space defined by the samples.
The SamView module is a general purpose XAS data preprocessing program. It reads raw data collected from a beamline and allows the user to view raw data, average scans, calibrate energy, and perform deadtime corrections for solid state detectors.
Data formats:
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SSRL XAScollect binaries
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SSRL XAScollect ASCII files
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X-ray Data Interchange (XDI) format
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DND-CAT quick-scanning XAS binary files
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DND-CAT ASCII files from step XAS scans
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DND-CAT ASCII files from multi-element detectors
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GSE-CARS single and multi-element detectors
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PNC-CAT simple format
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SOLEIL NXS data formats
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SRC multi-element detector format
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ALS beamline 10.3.2
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NSLS beamlines X-11A, X-23A2 and X-23B
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NSLS BSIF binary format for X26A 1-D data
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Generic ASCII format for other formats
Future ability to include other formats is planned, including possible plug-in type support. A generic ASCII file loader is provided to accommodate other file formats. The background subtraction module adds the ability to perform the subtraction of gaussian type pre-edge removal to the standard complements of background removal and spline fitting. The gaussian method is a useful approach to remove the scattering contributions of low concentration samples collected with solid-state detectors. A special feature of the XANES fitting routine is the ability to make corrections for self-absorbance to spectra obtained using fluorescence yield detectors (i.e. Lytle cells or Ge solid state arrays). The program is still in its mid-life stage of development, but all questions and particularly comments for improvement are welcomed.
Coming Soon: Tutorials! New documentation to reflect recent improvements (badly needed)!
How to Cite
Webb S.M. (2005) SIXPACK: A graphical user interface for XAS analysis using IFEFFIT. Physica Scripta T115, 1011-1014. https://iopscience.iop.org/article/10.1238/Physica.Topical.115a01011/meta
License