scispace - formally typeset
Open AccessJournal ArticleDOI

BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis

Reads0
Chats0
TLDR
BioXTAS RAW is a graphical-user-interface-based free open-source Python program for reduction and analysis of small-angle X-ray solution scattering (SAXS) data, including size-exclusion chromatography coupled SAXS data.
Abstract
BioXTAS RAW is a graphical-user-interface-based free open-source Python program for reduction and analysis of small-angle X-ray solution scattering (SAXS) data. The software is designed for biological SAXS data and enables creation and plotting of one-dimensional scattering profiles from two-dimensional detector images, standard data operations such as averaging and subtraction and analysis of radius of gyration and molecular weight, and advanced analysis such as calculation of inverse Fourier transforms and envelopes. It also allows easy processing of inline size-exclusion chromatography coupled SAXS data and data deconvolution using the evolving factor analysis method. It 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.

read more

Content maybe subject to copyright    Report

Citations
More filters
Journal ArticleDOI

Valence and patterning of aromatic residues determine the phase behavior of prion-like domains

TL;DR: It is shown that the numbers (valence) of aromatic residues in PLDs determine the extent of temperature-dependent compaction of individual molecules in dilute solutions, which determines full binodals that quantify concentrations of PLDs within coexisting dilute and dense phases as a function of temperature.
Journal ArticleDOI

G3BP1 Is a Tunable Switch that Triggers Phase Separation to Assemble Stress Granules

TL;DR: It is shown that SGs assemble through liquid-liquid phase separation (LLPS) arising from interactions distributed unevenly across a core protein-RNA interaction network, and that interplay between three distinct intrinsically disordered regions (IDRs) in G3BP1 regulates its intrinsic propensity for LLPS.
Journal ArticleDOI

ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis.

TL;DR: Developments in the ATSAS 3.0 release are described, including new programs for data simulation and for the structural modelling of lipids, nucleic acids and polydisperse systems.
Journal ArticleDOI

Cellulose ionic conductors with high differential thermal voltage for low-grade heat harvesting.

TL;DR: A cellulosic membrane that relies on sub-nanoscale confinement of ions in oxidized and aligned cellulose molecular chains to enhance selective diffusion under a thermal gradient to demonstrate a flexible and biocompatible heat-to-electricity conversion device via nanoscale engineering based on sustainable materials that can enable large-scale manufacture.
Journal ArticleDOI

CHROMIXS: automatic and interactive analysis of chromatography-coupled small-angle X-ray scattering data.

TL;DR: CHROMIXS (as in CHROMatography Inline X-ray Scattering), a program for rapid reduction and analysis, both automatically and interactively, of SEC-SAXS data is presented.
References
More filters
Journal ArticleDOI

Matplotlib: A 2D Graphics Environment

TL;DR: Matplotlib is a 2D graphics package used for Python for application development, interactive scripting, and publication-quality image generation across user interfaces and operating systems.
Journal ArticleDOI

The NumPy Array: A Structure for Efficient Numerical Computation

TL;DR: In this article, the authors show how to improve the performance of NumPy arrays through vectorizing calculations, avoiding copying data in memory, and minimizing operation counts, which is a technique similar to the one described in this paper.
Journal ArticleDOI

The NumPy array: a structure for efficient numerical computation

TL;DR: This effort shows, NumPy performance can be improved through three techniques: vectorizing calculations, avoiding copying data in memory, and minimizing operation counts.
Journal ArticleDOI

Two-dimensional detector software: From real detector to idealised image or two-theta scan

TL;DR: Calibration methods and software have been developed for single crystal diffraction experiments, using both approaches for calibrate, and apply corrections, to obtain accurate angle and intensity information.
Related Papers (5)