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

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 so...

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Vydáno v:Journal of applied crystallography Ročník 40; číslo s1; s. s223 - s228
Hlavní autoři: Petoukhov, Maxim V., Konarev, Peter V., Kikhney, Alexey G., Svergun, Dmitri I.
Médium: Journal Article
Jazyk:angličtina
Vydáno: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Blackwell Publishing Ltd 01.04.2007
Témata:
automated data processing
Automation
Crystallography
Data analysis
Data processing
high-throughput SAS
SAS data analysis
Scattering
shape determination
web access
ISSN:1600-5767, 0021-8898, 1600-5767
On-line přístup:Získat plný text
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Popis
Shrnutí: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.
Bibliografie:istex:415854D86DC7A79A71459016F76299EB5BBC64AC
ark:/67375/WNG-QLB0912H-5
ArticleID:JCRSM6018
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 14
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S0021889807002853