ATSAS 2.1 – towards automated and web-supported small-angle scattering data analysis

By M. Petoukhov, P. Konarev, Alexey G. Kikhney, Dmitri I. Svergun. 2007

479 citations recorded by the source corpus.

Small-angle scattering (SAS) is frequently employed for screening large numbers of samples and for studying these samples under different conditions, including space- and time-resolved analysis. These measurements produce immense amounts of data, especially on modern high-flux and high-brilliance sources (e.g. third-generation synchrotrons). In biological SAS, like high-throughput macromolecular crystallography, large-scale analysis of proteins and macromolecular complexes is also emerging. Automation of data analysis becomes an indispensable prerequisite for adequate evaluation of high-throughput SAS experiments. Here a prototype of an automated data-analysis system for isotropic solution scattering based on the further development of the programs belonging to the package ATSAS 2.1 is reported. This system allows the major analysis tasks starting from the raw data processing and, for monodisperse systems, finishing with a three-dimensional model, to be performed automatically. Convenient web interfaces for the online use of individual ATSAS programs are also provided.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/b8a688bd4b8bd21e88dc78c53428629b772eafe3

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In Materials Chemistry

In Molecular Biology

In Spectroscopy

Citations in the corpus

New developments in the ATSAS program package for small-angle scattering data analysis (2012, unknown): “Based on this approach the program AUTOPOROD was developed, which (i) automatically runs the AUTORG (Petoukhov et al., 2007) and AUTOGNOM (Petoukhov et al., 2007) tools to find the first good point in the data smin (i.e. the closest-to-the-origin angular interval displaying a valid Guinier behaviour”
ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions (2017, methodology): “In addition, as selecting the appropriate experimental data range for the Guinier approximation is often non-trivial, AUTORG (Petoukhov et al., 2007) may be employed to identify the suitable Guinier interval automatically.”
BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis (2017, methodology): “The GNOM window acts as a GUI for GNOM and DATGNOM from the ATSAS package (Petoukhov et al., 2007), requiring a separate installation of ATSAS to work.”