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Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
Routines for wavefront propagation in IDL, Matlab, and Python
PROPER is a library of routines for the propagation of wavefronts through an optical system using Fourier-based methods. It was developed at the Jet Propulsion Laboratory for modeling stellar coronagraphs, but it can be applied to other optical systems were diffraction propagation is of concern. It is currently available for IDL (Interactive Data Language), Matlab and Python (3.x). It includes routines for generating complex apertures and obscurations and aberrations (Zernike & PSD-defined). It includes a model of a deformable mirror for wavefront control. The routines perform near and far field propagation with automatic selection of propagators.
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open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation.
Python 3 Code and new features are now at:
https://gitlab.esrf.fr/micha/lauetools
xylib is a portable library for reading x-y data from powder diffraction, spectroscopy and other experimental methods. Supported formats: VAMAS, pdCIF, Bruker, Philips, Rigaku DAT, Sietronics CPI, DBWS/DMPLOT, Koalariet XDD and others.
This script can convert raw diffraction images to JPEG files.
Support ADSC, MarCCD, Mar345, RAXIS and PILATUS, and can be run on Windows, Linux and Mac OS X.
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DIFFR is a menu-driven graphical software whereby the problem of a plane wave diffraction on a rough surface can be solved using several numerical and approximate methods.
The Xtal System is a comprehensive suite of small molecule structural solution, refinement and analysis software, supporting both X-ray, neutron and electron diffraction data. It runs on both Unix and MS Win32 platforms and uses tcl/tk graphics.
OpenXRD is a program for the analysis of X-raydiffraction data.It will comprise scan treatment (background substraction, peak hunting) as well as mineral identification.OpenXRD will read almost any available data format.