Beamline 7.2W
Macromolecular Crystallography
Data Analysis Tools
XAS Analysis
XAS provides insights into the local structure and electronic state of elements. Athena is a robust tool for energy calibration, background subtraction, and XANES and EXAFS fitting
👉 Manual & Downloads
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Athena/Demeter: See the Demeter project page for Athena downloads and the user manual: https://bruceravel.github.io/demeter/.
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Larix (formerly XAS Viewer): Software for viewing and analyzing XAS data for downloads and documentation: https://xraypy.github.io/xraylarch/installation.html
XRF Analysis
XRF is a non-destructive analytical technique used to determine the elemental composition of materials. PyMCA simplifies spectrum fitting, peak identification, ROI selection, and quantitative analysis.
👉 Manual & Downloads
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PyMCA: Visit the official PyMCA site for downloads and documentation: https://pymca.sourceforge.net.
Micro-XRF Analysis
Micro-XRF is a high-resolution X-ray fluorescence technique that enables spatially resolved elemental mapping across sample surfaces. It is ideal for analyzing heterogeneous materials, cultural heritage objects, and micro-contaminants. The ROI Imaging Tool enhances visualization by allowing users to select specific regions for detailed elemental distribution.
👉 Manual & Downloads
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ROI Imaging Tool: Micro-XRF enables spatially resolved elemental mapping. ROI Imaging Tool supports ROI definition and visualization. Download from https://pymca.sourceforge.net/.
TXRF Analysis
Total Reflection X-ray Fluorescence (TXRF) is an advanced variant of XRF that provides ultra-trace elemental analysis with minimal sample preparation. TXRF is ideal for semiconductor, environmental, and biological samples due to its high sensitivity and low detection limits.
👉 Manual & Downloads
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PyMCA: PyMCA is an open-source software for XRF and TXRF data analysis. It offers spectrum fitting, ROI selection, quantitative analysis, and imaging tools. Download from https://pymca.sourceforge.net/.
WAXS Analysis
Wide-Angle X-ray Scattering (WAXS) provides detailed insights into short-range order, crystallinity, and molecular packing in materials. By analyzing wide-angle scattering patterns, it reveals atomic-scale structures, phase composition, and structural changes in polymers, nanomaterials, and thin films.
👉 Manual & Downloads
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GSAS-II: GSAS-II provides full refinement, indexing, and visualization. Download from https://subversion.xray.aps.anl.gov/pyGSAS/.
MX Analysis
Macromolecular Crystallography (MX) focuses on determining the 3D atomic structure of biological macromolecules such as proteins and nucleic acids. This technique uses X-ray diffraction data collected from crystals to reveal molecular architecture, aiding drug design and structural biology research.
👉 Manual & Downloads
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iMosflm: iMosflm simplifies image processing, indexing, and integration for MX workflows. Download from https://www.mrc-lmb.cam.ac.uk/imosflm/.