PAN Blend small-angle-scattering packages

Programma con GUI per analisi veloce di immagini di diffrazione di polveri a raggi X. Fornisce la possibilità di calibrazione, creazione di maschere, sovrapposizione di trame e visualizzazione di linee di fase.

Fityk è un programma flessibile e portabile per l'interpolazione non lineare di funzioni analitiche (in particolare per funzioni con picchi) e l'analisi dati (solitamente dati sperimentali). In altre parole, per l'analisi e la separazione di picchi non lineari.

È stato sviluppato per l'analisi di pattern di diffrazione, ma può anche essere usato in altri campi, poiché il concetto e le operazioni specifiche per la cristallografia sono separati dal resto del programma.

Fityk offre vari metodi di interpolazione non lineare, sottrazione di fondo, calibrazione di dati, posizionamento facilitato di picchi e variazione dei parametri del picco, automazione tramite script e molto altro. Il principale vantaggio del programma è la flessibilità: i parametri dei picchi possono essere arbitrariamente collegati con altri parametri, ad esempio la larghezza del picco può essere una variabile indipendente, può essere la stessa larghezza di un altro picco o un'espressione complicata relativa a tutti i picchi.

Per il materiale JavaScript nella documentazione è necessario libjs-sphinxdoc.

PyFAI è una libreria Python per integrazione azimutale; permette la conversione di immagini di diffrazione riprese con rilevatori 2D come telecamere CCD in pattern di diffrazione da polveri dei raggi X che possono essere usati da altri software come gli strumenti di raffinamento Rietveld (cioè FullProf), analisi di fase o analisi di texture.

Siccome PyFAI è una libreria, il suo obiettivo principale è di essere integrata in altri strumenti come PyMca, LiMa o EDNA. Per eseguire analisi di dati in linea, la descrizione precisa delle condizioni sperimentali deve essere conosciuta. Questa è la ragione per cui PyFAI include codice per l'ottimizzazione delle geometrie che lavora su "powder ring" dei campioni di riferimento. Alternativamente, PyFAI può anche importare geometrie di cui si è fatto il fit con altri strumenti come Fit2D.

PyFAI è stata progettata per funzionare con qualsiasi tipo di rivelatore con qualsiasi geometria (trasmissione, riflessione, fuori asse, ...). Usa la libreria FabIO Python per leggere la maggior parte delle immagini riprese dai diffrattometri.

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.