ANKAphase

ANKAphase processes X-ray inline phase-contrast radiographs by reconstructing the projected thickness of the object(s) imaged. The tool uses a single-distance non-iterative phase-retrieval algorithm described in a paper by D. Paganin et al. J. Microsc. vol. 206 (2002). It has an easy-to-use graphical user interface and can be run either as a standalone application or as a plugin to ImageJ. It works on powerful clusters but also on your office laptop.

dahu

Data Analysis RPC server over Tango Dahu is a lightweight plugin based framework... ... technically a JSON-RPC server over Tango * plugin can be class or can be generated from state-less function * a plugin is executed within a job, each job lives in its own thread. * plugins have empty constructors plus 4 methods (or more) - setup allows to set the input parameters. It performs sanitization if needed - process does the taff - teardown sets the output and the logging and cleans up if needed - abort can be used to stop the processing if a plugin is a daemon. * the job is responsible for serializing on disk the plugin input and output * jobs can be launched using the tango interface (or other ...) * plugins have a single input and output, they are simple JSON-serializable dictionaries.

DiffPy-CMI

DiffPy-CMI is a library of Python modules for robust modeling of nanostructures in crystals, nanomaterials, and amorphous materials. The software provides functionality for storage and manipulation of structure data and calculation of structure-based quantities, such as PDF, SAS, bond valence sums, atom overlaps, bond lengths, and coordinations. Most importantly the DiffPy-CMI package contains a fitting framework for combining multiple experimental inputs in a single optimization problem.

ICSD

Inorganic Crystal Structure Database, containing about 185,000 peer-reviewed data entries of inorganic and related structures, including their atomic coordinates dating back to 1913. It is produced cooperatively by FIZ Karlsruhe and the National Institute of Standards and Technology (NIST).

PDFgetX3

PDFgetX3 is a command-line utility for converting X-ray powder diffraction data to atomic pair distribution functions (PDF) in automated batch processing. The interactive mode provides complete access to all parameters and intermediate results, as well as live-plotting feature for parameters tuning and visualization of their effects on the results. PDFgetX3 can be used either as a standalone application or as a Python library of PDF-processing functions.

TOPAS

Profile and structure analysis software for powder and single crystal data XRD. Profile and structure analysis by integrating a large wealth of profile fitting techniques as well as related applications. Single Line Fitting Indexing (LSI and LP-Search methods) Whole Powder Pattern Decomposition (Pawley and Le Bail methods) Ab-initio structure determination in direct space from powder and single crystal data Rietveld structure refinement Quantitative Rietveld analysis

Software