Software


SASfit

SASfit has been written for analyzing and plotting small angle scattering data. It can calculate integral structural parameters like radius of gyration, scattering invariant, Porod constant. Furthermore it can fit size distributions together with several form factors including different structure factors. Additionally an algorithm has been implemented, which allows to simultaneously fit several scattering curves with a common set of (global) parameters. This last option is especially important in contrast variation experiments or measurements with polarised neutrons. The global fit helps to determine fit parameters unambiguously which by analyzing a single curve would be otherwise strongly correlated.

SasView

SasView is a Small Angle Scattering (SAS) analysis package for the analysis of 1D and 2D scattering data directly in inverse space. The focus was originally on neutron data (SANS) but has been used for X-ray’s as well and includes a tool for determining a slit resolution for the SAXSess instrument. SansView also includes PrView to invert SAS data to P(r), a resolution calculator, and a scattering length density calculator among others tools. A simple plugin mechanism is available for users to add custom models.

Savu

Savu is a Python package to assist with the processing and reconstruction of parallel-beam tomography data. The project originated in the Data Analysis Group at the Diamond Light Source (UK synchrotron) to address the growing, and increasingly complex, needs of the tomography community. Designed to allow greater flexibility in tomography data processing, Savu is capable of processing N-dimensional full-field tomography and mapping tomography data, along with concurrent processing of multiple datasets such as those collected as part of a multi-modal setup. Savu process lists, tailored to a specific experiment and passed to the framework at runtime along with the data, detail the processing steps that are required. A Savu process list is created using the Savu configurator tool, which stacks together plugins chosen from a repository. Each plugin performs a specific independent task, such as correction, filtering, reconstruction. For a list of available plugins see plugin API. Savu is currently in use across the tomography beamlines at Diamond to reconstruct both full-field tomography data and multi-modal, mapping tomography data.

silx

The silx project aims at providing a collection of Python packages to support the development of data assessment, reduction and analysis applications at synchrotron radiation facilities. The purpose is to deliver reading/writing of different file formats, data reduction routines and a set of Qt widgets to browse and visualize data.

X-SOCS

The X-ray Strain Orientation Calculation Software (X-SOCS) is a user-friendly program, which has been developed at ID01 for analysis of the spec-file and images recorded during continuous mapping measurements. X-SOCS aims at retrieving strain and tilt maps of nanostructures, films, surfaces or even embedded structures. It offers the opportunity to get preliminary results directly at the beamline giving the user the opportunity to adapt the planning of the experiments and the measurements with respect to this first set of results. This is of particular importance for the application of such fast scanning methods to in operando studies at high temperatures or in gas or liquid environments.

XDS

X-ray Detector Software for processing single-crystal monochromatic diffraction data recorded by the rotation method. It processes a sequence of adjacent, nonoverlapping rotation images collected from a single-crystal at a fixed X-ray wavelength and recorded by a variety of imaging plate, CCD, pixel and multiwire area detectors; allows arbitrary but fixed orientations of the detector and rotation axis, and only requires that incident beam and rotation axis intercept in one point in the center of the crystal; automatically derives reflecting range, spot width, crystal orientation, symmetry, and cell parameters from the data images. delivers a list of corrected integrated intensities of the reflections occuring in the data images.

XMI-MSIM

XMI-MSIM is an open source tool designed for predicting the spectral response of energy-dispersive X-ray fluorescence spectrometers using Monte Carlo simulations. It comes with a fully functional graphical user interface in order to make it as user friendly as possible. Considerable effort has been taken to ensure easy installation on all major platforms. A manuscript has been published in Spectrochimica Acta Part B that covers the algorithms that power XMI-MSIM. Please include a reference to this publication in your own work if you decide to use XMI-MSIM for academic purposes. A second manuscript was published that covers our XMI-MSIM based quantification plug-in for PyMca. XMI-MSIM is released under the terms of the GPLv3.

XOP (includes SHADOWVUI)

XOP (X-ray Oriented Programs) is a widget-based driver program used as a common front-end interface for modelling of x-ray sources characteristics of optical devices (mirror, filters, crystals, multilayers, etc.); multipurpose data visualizations and analyses

xraylib

Quantitative estimate of elemental composition by spectroscopic and imaging techniques using X-ray fluorescence requires the availability of accurate data of X-ray interaction with matter. Although a wide number of computer codes and data sets are reported in literature, none of them is presented in the form of freely available library functions which can be easily included in software applications for X-ray fluorescence. This work presents a compilation of data sets from different published works and an xraylib interface in the form of callable functions. Although the target applications are on X-ray fluorescence, cross sections of interactions like photoionization, coherent scattering and Compton scattering, as well as form factors and anomalous scattering functions, are also available. xraylib provides access to some of the most respected databases of physical data in the field of X-rays. The core of xraylib is a library, written in ANSI C, containing over 40 functions to be used to retrieve data from these databases. This C library can be directly linked with any program written in C, C++ or Objective-C. Furthermore, the xraylib package contains bindings to several popular programming languages: Fortran 2003, Perl, Python, Java, IDL, Lua, Ruby, PHP and .NET, as well as a command-line utility which can be used as a pocket-calculator. Although not officially supported, xraylib has been reported to be useable from within Matlab and LabView. The source code is known to compile and run on the following platforms: Linux, Mac OS X, Solaris, FreeBSD and Windows. It is very likely that xraylib will also work on other platforms: we would be grateful if you would report your successes in this regard. Please note that not all of the bindings are currently working on all platforms. A paper was published concerning xraylib by A. Brunetti, M. Sanchez del Rio, B. Golosio, A. Simionovici and A. Somogyi, “A library for X-ray matter interaction cross sections for X-ray fluorescence applications”, Spectrochimica Acta B 59 (2004) 1725-1731. This paper was recently superseded by a new manuscript, covering all features of xraylib upto version 2.15.0, written by T. Schoonjans, A. Brunetti, B. Golosio, M. Sanchez del Rio, V. A. Solé, C. Ferrero and L. Vincze, named "The xraylib library for X-ray—matter interactions. Recent developments". You are kindly requested to include this paper in the reference list of your published work when you would decide to use xraylib for scientific purposes.