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Open Dataset XSRRGS8F

Model SAXS Test Data for Computation and Demos

Abstract

This is a model test SAXS dataset to use for both visual and computational tests for the web application "SAXS FrameSlice" hosted at https://bl1231.als.lbl.gov/ran at the SIBYLS beamline at the Advanced Light Source in Berkeley, California USA. The generated data is meant to mimic a SAXS-like dataset that represents a scattering angle (q) vs. intensity (I) step function. For researchers, the dataset makes it easy for investing the properties of SAXS analysis software. For developers, the data aids the ability to write simpler tests for SAXS software application development.

Experimental description

The data were generated by a shell script. All data start with a q value (abscissa or X-axis) that ranges from 0.004 to 0.04 (inclusive) with a step size of 0.004 in the first column. The intensity values (ordinate or Y-axis ) in the second column begin at a multiple of 100000 for the first 10 data rows, then decreases to a multiple of 10000 for the next 10 data rows. These values are repeated 10 times until reaching a value of a multiple of 0.0001 for the last 10 values at the end of the dataset. The data have a third column that represents an error of 1% of each intensity value.

File description

There are 8 data files: test_0001.dat through test_0008.dat. The first dataset, test_0001.dat begins with a multiple of 1 for the intensity values, test_0002.dat with a multiple of 2, etc. until the final dataset, test_0008.dat that has a multiple of 8.

Created

2022-11-19

Updated

2022-11-19

Data collection technique

Computational

Journal DOI

Source

Beamline

Wavelength

Sample to Detector Distance

Submitting Author

David S. Shin

Lawrence Berkeley National Laboratory, The SIBYLS Beamline

United States of America

[email protected]

Collaborators

Project Leader

Greg Hura

[email protected]


Data Download Terms:

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Complete Set of SAS Data Files

The complete SAS dataset is downloadable as a zip file.

Individual SAS Data Files (total 1)

These are individual SAS data files that may be raw or processed (merged, etc.). These may or not be included in a zip file containing a larger dataset.

Supplemental Data and Supporting Materials (total 1)

These data and materials may include X-ray crystal structure coordinates, multi-angle light scattering data, .etc. It may also include additional details or methods pertaining to the SAXS experiments, or the researcher's interpretations of the results.

Open SAXS data analysis sites in a new tab using these links

SAXS Similarity SAXS FrameSlice

Sample:

  • Macromolecule 1: Generated Test Data
    • Sample Full Name: Computational Data for Testing
    • Sample Type: Other
    • Source Organism:
    • Source Organism NCBI Taxonomy ID:
    • Expression System:
    • Expression NCBI Taxonomy ID:
    • Sequence or Chemical Formula: