Search Results for "x-ray diffraction"
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Showing 20 open source projects for "x-ray diffraction"
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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). ... -
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QXRD is software for the acquisition and analysis of X-ray data taken with 2 dimensional detectors. The software can drive a Perkin Elmer XRD series flat panel detector and can be remote-controlled via a socket interface, or directly from SPEC
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MCE - Marching Cube ELD
Crystallographic software for displaying voxel maps - electron density
MCE is an crystallographic experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. Download the installation file (default download) or find in "Files" the zip-file with instant copy of the program which does not require the installation. -
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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.
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PROPER Optical Propagation Library
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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atomes
Analysis, visualization, edition of 3D atomistic models
atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le... -
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ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
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DIANNA
software for DFA method
DIANNA (Diffraction Analysis of Nanopowders) is a free software developed to simulate atomic models of structures from an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. -
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LaueTools
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 -
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2DFLT
Program for Normalization, Averaging and Editing of In Situ Data Sets
...source=directory). 2DFLT specifically was written to target in situ X-ray Powder Diffraction data from synchrotron measurements. Hence it can read CHI, XYE (TOPAS), FXYE(GSAS/ GSASII) and XY- files formats. However it can read general in situ data written into individual TXT or XY – files. -
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LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. Also see http://lunus.sourceforge.net
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Clip
Interactive program for evaluation of Laue diffraction patterns
Clip is an interactive program for simulation, indexing and refinement of Laue diffraction images. -
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qxcavate
Reciprocal Space Mapping of X-Ray Diffraction Data
Reciprocal Space Mapping of X-Ray Diffraction Data taken with 2 dimensional detectors using the rotation method -
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The pySpec project is a set of data analysis routines written in python for analysis of x-ray diffraction data produced by the SPEC X-Ray Diffraction and Data Acquisition software. This repo has moved to : https://github.com/stuwilkins/pyspec
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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.
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DIGIgrain is a general 3D data processing, data reduction program for 3D X-ray Diffraction Microscopy (3DXRD) and High-Energy Diffraction Microscopy (HEDM) measurements. It is designed to be used for analysis of both near-field and far-field images.
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Grating Calculator is a freeware application for the Calculation of Focal Planes of General Diffraction Gratings, from Rowland Type to the most modern aperiodic line density concave gratings used for soft x-ray diffraction.
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XDiff is a program for numerical calculations of X-ray powder diffraction patterns of nanocrystals dispersed in a liquid phase
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