PAN Blend small-angle-scattering packages

A GUI program for fast analysis of powder X-ray diffraction Images. It provides the capability of calibrating, creating masks, having pattern overlays and showing phase lines.

Fityk jest elastycznym i przenośnym programem do dopasowywania nieliniowych funkcji analitycznych (zwłaszcza modelowanych wierzchołkami) do danych (zwykle doświadczalnych). Innymi słowy służy do oddzielenia i analizy nieliniowych wierzchołków.

Zaprojektowany został do analizy dyfraktogramów, ale może zostać użyty do innych celów, odkąd pojęcia i operacje specyficzne dla krystalografii są oddzielone od reszty programu.

Fityk oferuje różnorodne metody dopasowywania nieliniowego, odejmowanie tła, kalibrację danych, łatwe umieszczanie wierzchołków i zmianę ich parametrów, automatyzację powszechnie używanych zadań poprzez skrypty, i dużo więcej. Główną zaletą programu jest elastyczność - parametry wierzchołków mogą być dowolnie powiązane między sobą np. szerokość wierzchołka może być niezależną zmienną, może być taka sama jak szerokość innego wierzchołka lub też może być złożoną - wspólną dla wszystkich wierzchołków - formułą.

Pakiet libjs-sphinxdoc potrzebny jest do zainstalowania plików źródłowych JavaScript w dokumentacji.

PyFAI is a Python library for azimuthal integration; it allows the conversion of diffraction images taken with 2D detectors like CCD cameras into X-Ray powder patterns that can be used by other software like Rietveld refinement tools (i.e. FullProf), phase analysis or texture analysis.

As PyFAI is a library, its main goal is to be integrated in other tools like PyMca, LiMa or EDNA. To perform online data analysis, the precise description of the experimental setup has to be known. This is the reason why PyFAI includes geometry optimization code working on "powder rings" of reference samples. Alternatively, PyFAI can also import geometries fitted with other tools like Fit2D.

PyFAI has been designed to work with any kind of detector with any geometry (transmission, reflection, off-axis, ...). It uses the Python library FabIO to read most images taken by diffractometer.

sasmodels is a Python module for calculating theoretical Small Angle Scattering patterns. The models provided are usable directly in the bumps fitting package and in the sasview analysis package.

This package contains the documentation for the module.

BioXTAS RAW is a GUI based, Python program for reduction and analysis of small-angle X-ray solution scattering (SAXS) data. The package is designed for biological SAXS data.

BioXTAS RAW provides an alternative to closed source programs such as Primus and Scatter for primary data analysis. Because it can calibrate, mask, and integrate images it also provides an alternative to synchrotron beamline pipelines that scientists can install on their own computers and use both at home and at the beamline.

DENSS is an algorithm used for calculating ab initio electron density maps directly from solution scattering data. DENSS implements a novel iterative structure factor retrieval algorithm to cycle between real space density and reciprocal space structure factors, applying appropriate restraints in each domain to obtain a set of structure factors whose intensities are consistent with experimental data and whose electron density is consistent with expected real space properties of particles.

DENSS utilizes the NumPy Fast Fourier Transform for moving between real and reciprocal space domains. Each domain is represented by a grid of points (Cartesian), N x N x N. N is determined by the size of the system and the desired resolution. The real space size of the box is determined by the maximum dimension of the particle, D, and the desired sampling ratio. Larger sampling ratio results in a larger real space box and therefore a higher sampling in reciprocal space (i.e. distance between data points in q). Smaller voxel size in real space corresponds to higher spatial resolution and therefore to larger q values in reciprocal space.

Available tools:

• supycomb: a re-implementation of supcomb as described in J. Appl. Cryst. (2001). 34, 33-41;
• autorg: automatic guess of the Guinier region in a SAXS curve, based on BioXTAS-RAW;
• auto_guinier automatic guess of the Guinier region in a SAXS curve, based on J. Appl. Cryst. (2007). 40, s223-s228;
• auto_gpa: automatic Guinier peak analysis, based on J Appl Cryst. (2016). 49, 1412–1419;
• bift: an Bayesian inverse Fourier transform, based on J. Appl. Cryst. (2006). 39, 797-804 & BioXtas-RAW;
• cormap: a tool to assess the similarity of saxs curves, based on Nature Methods volume 12, pages 419–422 (2015).

sasmodels is a Python module for calculating theoretical Small Angle Scattering patterns. The models provided are usable directly in the bumps fitting package and in the sasview analysis package.

This package contains the Python 3 version of the module.

SasView is software for the analysis of Small-Angle Scattering (SAS) data.

It fits analytic functions describing different types of material microstructure to experimental data in order to determine the shape, size and degree of ordering.

SasView also includes tools for calculating scattering length densities, slit sizes, resolution, fringe thicknesses/d-spacings, the (Porod) invariant ('total scattering'), and distance distribution functions.

SasView is a Small Angle Scattering Analysis Software Package, originally developed as part of the NSF DANSE project under the name SansView, now managed by an international collaboration of facilities.

This is the package of Python modules; most users will want the graphical user interface in the sasview package.

sasmodels is a Python module for calculating theoretical Small Angle Scattering patterns. The models provided are usable directly in the bumps fitting package and in the sasview analysis package.

This package contains the precompiled versions of the models.

SasView is software for the analysis of Small-Angle Scattering (SAS) data.

It fits analytic functions describing different types of material microstructure to experimental data in order to determine the shape, size and degree of ordering.

SasView also includes tools for calculating scattering length densities, slit sizes, resolution, fringe thicknesses/d-spacings, the (Porod) invariant ('total scattering'), and distance distribution functions.

SasView is a Small Angle Scattering Analysis Software Package, originally developed as part of the NSF DANSE project under the name SansView, now managed by an international collaboration of facilities.

This package installs the sasview executable script.

SasView is software for the analysis of Small-Angle Scattering (SAS) data.

It fits analytic functions describing different types of material microstructure to experimental data in order to determine the shape, size and degree of ordering.

SasView also includes tools for calculating scattering length densities, slit sizes, resolution, fringe thicknesses/d-spacings, the (Porod) invariant ('total scattering'), and distance distribution functions.

SasView is a Small Angle Scattering Analysis Software Package, originally developed as part of the NSF DANSE project under the name SansView, now managed by an international collaboration of facilities.

This is the documentation package.

SPD stands for SPatial Distortion. Written in C language, this command-line driven program deals with images coming from X-ray diffusion/diffraction experiments. It does subsequently:

 *intensity corrections (dark current, flat field correction, ...),
 *geometry corrections using spline files or a pair of distortion arrays,
 *azimuthal integration in 2D or 1D after maskin defective pixels.
SPD was originally written by Jorg Klora for ESRF and was re-written by Peter

Boesecke. Maintenance and packaging of the program are provided by Rainer Wilcke and Jerome Kieffer from software group at ESRF.