Software

The ESRF SPD SAXS program package (P. Boesecke et al.) for on-line and off-line reduction of SAXS/WAXS data, originally developed for beamline ID02. A set of command-line C programs normalises, azimuthally regroups and averages 2D detector images to 1D pr…

A small CCP13 utility that expands a BSL-format data frame.

A CCP13 utility that scales LSQINT intensity-output files, either by comparing common reflections or by comparing total intensities in resolution shells.

A Windows GUI program from the CCP13 suite that integrates the fibre-diffraction tools XCONV, XFIX, FTOREC and LSQINT into a single environment for semi-automated analysis of diffraction patterns from non-crystalline (fibrous) materials. NB: this .NET-bas…

A Java-based build of the CCP13 FibreFix program suite for semi-automated analysis of fibre-diffraction patterns, runnable within a Java SE environment.

The Windows 7-and-later build of the CCP13 FibreFix program suite, integrating XCONV, XFIX, FTOREC and LSQINT for semi-automated analysis of fibre-diffraction patterns from non-crystalline materials.

A CCP13 model-fitting program for analysing reduced (treated) small-angle scattering data, fitting form- and structure-factor models to 1D profiles.

A general-purpose program for reduction, analysis and visualisation of two-dimensional X-ray detector data, written by Andy Hammersley at the ESRF. It performs detector calibration and geometry correction, masking, and azimuthal/radial integration to 1D, …

A small CCP13 utility that converts FIT2D 1D ASCII data into ISIS SANS 1D ASCII format, as a prelude to converting it to BSL format with XCONV.

Note: original URL appears broken as of migration date.Modelling & analysis of GISAXS data using distorted-wave Born approximation. NB: requires IGOR.

A Python reimplementation of several ATSAS tools for biological small-angle scattering, originally developed for the automated processing pipelines at ESRF beamline BM29. It provides automatic Guinier/Rg estimation (autorg), Bayesian inverse-Fourier-trans…

A CCP13 program that transforms all or part of a fibre-diffraction image into reciprocal space, given the specimen-to-detector distance, image rotation, wavelength and specimen tilt. See also LSQINT.

A MATLAB-based tool for graphical inspection, reduction and analysis of small-angle neutron scattering (SANS) data from multi-detector instruments. Developed at the ILL, it handles 2D detector images, masking, sector and radial averaging, and absolute-int…

A CCP13 program that simulates the X-ray diffraction pattern expected from helical structures, used in modelling fibre-diffraction data.

A massively parallel, high-performance code for simulating grazing-incidence small-angle X-ray scattering (GISAXS) from large, complex nanostructure models, developed at Lawrence Berkeley National Laboratory. It runs on multi-core and GPU HPC systems and …

The widely used open-source NIH image-processing program, applied in SAXS for handling and reducing 2D detector images. With the SAXS-specific plugins it can open many detector formats, define the beam centre and masks, and perform radial and azimuthal av…

A set of ImageJ plugins and macros (CEA LIONS) for SAXS detector-image reduction. They open images from several detector formats (MAR300, image-plate gel files, FastCom gas detectors, ESRF EDF), allow graphical or automated beam-centre definition and mask…

Indra (J. Ilavsky, APS) is an Igor Pro package for reduction of ultra-small-angle X-ray scattering (USAXS) data from Bonse-Hart instruments, producing calibrated 1D USAXS profiles. It is part of the Irena/Nika/Indra family of tools.

Irena (J. Ilavsky, APS) is an Igor Pro package for analysis and modelling of small-angle scattering (SAXS and SANS) data. It offers size-distribution, form/structure-factor and unified-fit modelling tools and is widely used across X-ray and neutron facili…

Note: original URL appears broken as of migration date.Simulates and analyses Grazing Incidence Small Angle X-Ray Scattering (GISAXS) from nanostructures.

A CCP13 program providing automatic least-squares integration of reflection intensities from fibre-diffraction data. See also FTOREC.

An open-source framework for processing and analysis of neutron-scattering and muon-spectroscopy data, including SANS reduction. It offers a large library of data-reduction algorithms, a graphical workbench and a Python API, with technique-specific interf…

Extracts form-free (model-independent) size distributions from small-angle scattering data using a Monte-Carlo regression approach, with built-in uncertainty estimation. It avoids assuming a particular distribution shape and is distributed as open source.

Computes small-angle scattering curves from user-defined 3D models. Models can be supplied as STL meshes, PDB structures or mathematical descriptions in Python, and the tool is available as a Python module, a command-line program and a graphical user inte…

A CCP13 program that simulates and labels the diffraction patterns of striated-muscle and other helical structures (such as myosin and actin filaments), aiding indexing of fibre-diffraction images.