Search Results for "diffraction"
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Showing 55 open source projects for "diffraction"
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MuscleX
Diffraction X-ray Image Analyzing Tool Kit
The Muscle X Application Suite is a collection of programs intended to assist with analyzing diffraction X-ray images. -
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CGISim
Roman Space Telescope coronagraph (CGI) diffraction model/simulator
The roman_preflight_proper package is the CGI diffraction model, provided as IDL, Matlab, and Python versions. It incorporates each optical surface and coronagraphic mask in CGI. Each surface has realistic aberrations (either measured or synthetic, depending on what's available), and polarization-induced wavefront error is also included. It uses the PROPER optical propagation library (http://proper-library.sourceforge.net). -
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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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XD1DD
XD1DD: X-ray Diffraction for 1 Dimensional Disorder
...To obtain a powder diffraction pattern, calculations are carried out in three-dimensional reciprocal space along rods passing through the nodes of the reciprocal two-dimensional lattice. The program allows one to determine the type and estimate the concentration of planar defects of the studied sample particles by creating a model of a 1D disordered crystal and optimizing it by trial and error until the best match with the experiment. -
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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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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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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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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 3D atomic scale 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 Roux, research... -
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DiDaCo
DiDaCo (Diffraction Data Converter)
Features: • Change the wavelength of X-rays • Sum the points by increasing the step • Extract bar charts from .xml PDF4+ cards For ran: unzip the archive and run DiDaCo.exe Required: • Windows 7 or newer • Microsoft .NET Framework 4: www.microsoft.com/en-US/download/details.aspx?id=17851 (Web Installer, 1 Mb) www.microsoft.com/en-us/download/details.aspx?id=17718 (Standalone Installer, 48 Mb) • Microsoft Visual C++ Redistributable: ... -
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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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ParaCell
SW for indexing of powder diffraction data
SW for indexing of powder diffraction data. It is written to be multiplatform. The computation can be done with multiple threads or sometimes with CUDA support. For detailed information see wiki page. -
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XRD CUBIC
Simulate crystal cell length (a), Miller indices {h, k, l}, d-spacing
This is a basic computer program (coded in Python) to simulate possible unit crystal cell length (a), Miller indices - {h, k, l} and interplanar spacing (d) for cubic crystals from observed (experimental) X-ray diffraction (XRD) angle, 2-theta. It can simulate all these possible crystal lattice parameters for cubic crystal systems between the given 2–theta values within the range of specified cell length (a) limits. 1. Enter wavelength of X-ray (in Angstroms) 2. Enter minimum and maximum diffraction angle as 2-theta (in Degrees) 3. Enter minimum and maximum unit cell length (in Angstroms) All the possible cubic crystal parameters, as well as diffraction angle with reference to d-spacing between the given Miller indices (h k l planes), will be simulated. ... -
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DiPoly
Diffraction analysis of Polymers
DiPoly is a new software that implements basic diffraction methods for the structural characterization of biopolymers. It is freeware with a friendly interface for the analysis of experimental powder X-ray diffractograms of polymer samples of biomass of various origins. A complex approach approach based on a combination of the Segal, decomposition and LeBale methods is used to estimate the degree of crystallinity. -
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DoNa
Domain Nanostructure
...The program allows you to quickly create, modify and analyze complex models of nanostructures. The software is now integrated into program DiAnNa (https://sourceforge.net/projects/dianna) for calculating powder X-ray diffraction. -
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DCT
Diffraction Contrast Tomography analysis code
Diffraction contrast tomography code base, as developed by researchers from beamline ID19 of the ESRF, Grenoble, France, and Manchester University, UK. -
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Tools for analysis of multiwavelength anomalous diffraction data collected on synchrotron beamlines, more specifically developed for grazing incidence diffraction on nanostructures.
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Crystalsim - XRD hkl simulation
X-ray diffraction (XRD) analysis for hkl simulation of any crystal.
Crystalsim is a simple freeware program with a neat graphical user interface for X-ray diffraction (XRD) data analysis . It can simulates all possible {hkl} planes data for the selected crystal. Crystallographic Information File (.cif) can also be used. Analyze both powder diffraction and single crystal data . Indexed at International Union of Crystallography (IUCR). Crystalline lattice parameters such as ‘a’, ‘b’, ‘c’ as well as interfacial angles such as alpha, beta, gamma can also be entered manually. ... -
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The purpose of this program is to calculate the phase transformation crystallography after a phase transformation and represent the results in graphical way such as in stereo graphic projection.The most recent crystallographic theories for both martensite and diffusional transformation are included.The variant selection during phase transformation could also be analyzed. The lattice matching near the interface, the superimposed diffraction patterns and so on can be readily simulated with present program. It supports Windows, Linux, Mac OS. PTCLab 支持相变晶体学计算（包括马氏体相变晶体学，扩散型相变的相变晶体学），衍射斑模拟与标定，变体分析，极射投影图，Wulff网。支持主流操作系统。 Researchgate ID: https://www.researchgate.net/profile/Xinfu_Gu2 If you used PTCLab in your work, please cite: Gu, X.-F., Furuhara, T. & Zhang, W....
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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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A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
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Diffraction calculations are used in wide-ranging optics fields. We develop a new C++ class library for diffraction and CGH calculations, which is referred as to a CWO++ library, running on a CPU and GPU.
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XDSGUI
A GUI for xds, with viewing cbf, editing xds.inp etc.
xds-gui is a fork from xds-viewer, which aims on expanding it to a full graphical interface for xds. XDS stands for X-ray Detector Software for processing single-crystal monochromatic diffraction data. xds-viewer was originally developed by Michael Hoffer until 2008 under the GPL. xds-gui is now being developed by me, Wolfgang Brehm under administration of Kay Diederichs at the University of Konstanz under the GPL.