Reduction of smallangle scattering profiles to finite sets of structural invariants
Abstract
This paper shows how smallangle scattering (SAS) curves can be decomposed in a simple sum using a set of invariant parameters calledK _{n}which are related to the shape of the object of study. TheseK _{n}, together with a radiusR, give a complete theoretical description of the SAS curve. Adding an overall constant, these parameters are easily fitted against experimental data giving a concise comprehensive description of the data. The pair distance distribution function is also entirely described by this invariant set and theD _{max}parameter can be measured. In addition to the understanding they bring, these invariants can be used to reliably estimate structural moments beyond the radius of gyration, thereby rigorously expanding the actual set of modelfree quantities one can extract from experimental SAS data, and possibly paving the way to designing new shape reconstruction strategies.
 Authors:
 Publication Date:
 Research Org.:
 SLAC National Accelerator Lab., Menlo Park, CA (United States)
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1373191
 DOE Contract Number:
 AC0276SF00515
 Resource Type:
 Journal Article
 Resource Relation:
 Journal Name: Acta Crystallographica Section A Foundations and Advances; Journal Volume: 73; Journal Issue: 4
 Country of Publication:
 United States
 Language:
 English
Citation Formats
Houdayer, Jérôme, and Poitevin, Frédéric. Reduction of smallangle scattering profiles to finite sets of structural invariants. United States: N. p., 2017.
Web. doi:10.1107/S205327331700451X.
Houdayer, Jérôme, & Poitevin, Frédéric. Reduction of smallangle scattering profiles to finite sets of structural invariants. United States. doi:10.1107/S205327331700451X.
Houdayer, Jérôme, and Poitevin, Frédéric. Fri .
"Reduction of smallangle scattering profiles to finite sets of structural invariants". United States.
doi:10.1107/S205327331700451X.
@article{osti_1373191,
title = {Reduction of smallangle scattering profiles to finite sets of structural invariants},
author = {Houdayer, Jérôme and Poitevin, Frédéric},
abstractNote = {This paper shows how smallangle scattering (SAS) curves can be decomposed in a simple sum using a set of invariant parameters calledKnwhich are related to the shape of the object of study. TheseKn, together with a radiusR, give a complete theoretical description of the SAS curve. Adding an overall constant, these parameters are easily fitted against experimental data giving a concise comprehensive description of the data. The pair distance distribution function is also entirely described by this invariant set and theDmaxparameter can be measured. In addition to the understanding they bring, these invariants can be used to reliably estimate structural moments beyond the radius of gyration, thereby rigorously expanding the actual set of modelfree quantities one can extract from experimental SAS data, and possibly paving the way to designing new shape reconstruction strategies.},
doi = {10.1107/S205327331700451X},
journal = {Acta Crystallographica Section A Foundations and Advances},
number = 4,
volume = 73,
place = {United States},
year = {Fri Jun 09 00:00:00 EDT 2017},
month = {Fri Jun 09 00:00:00 EDT 2017}
}

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