drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory

William T. Heller; John Hetrick; Jean Bilheux; Jose M.Borreguero Calvo; Wei Ren Chen; Lisa DeBeer-Schmitt; Changwoo Do; Mathieu Doucet; Michael R. Fitzsimmons; William F. Godoy; Garrett E. Granroth; Steven Hahn; Lilin He; Fahima Islam; Jiao Lin; Kenneth C. Littrell; Marshall McDonnell; Jesse McGaha; Peter F. Peterson; Sai Venkatesh Pingali; Shuo Qian; Andrei T. Savici; Yingrui Shang; Christopher B. Stanley; Volker S. Urban; Ross E. Whitfield; Chen Zhang; Wenduo Zhou; Jay Jay Billings; Matthew J. Cuneo; Ricardo M.Ferraz Leal; Tianhao Wang; Bin Wu

doi:10.1016/j.softx.2022.101101

drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory

William T. Heller, John Hetrick, Jean Bilheux, Jose M.Borreguero Calvo, Wei Ren Chen, Lisa DeBeer-Schmitt, Changwoo Do, Mathieu Doucet, Michael R. Fitzsimmons, William F. Godoy, Garrett E. Granroth, Steven Hahn, Lilin He, Fahima Islam, Jiao Lin, Kenneth C. Littrell, Marshall McDonnell, Jesse McGaha, Peter F. Peterson, Sai Venkatesh PingaliShuo Qian, Andrei T. Savici, Yingrui Shang, Christopher B. Stanley, Volker S. Urban, Ross E. Whitfield, Chen Zhang, Wenduo Zhou, Jay Jay Billings, Matthew J. Cuneo, Ricardo M.Ferraz Leal, Tianhao Wang, Bin Wu

Research output: Contribution to journal › Article › peer-review

42 Scopus citations

Abstract

Data reduction is a critical step in a small-angle neutron scattering experiment. It corrects the data for instrument-specific artefacts, making it ready for analysis, interpretation, as well as for comparison against data collected with different small-angle neutron scattering instruments. Here, the drtsans software package developed at Oak Ridge National Laboratory for data reduction for the EQ-SANS, GP-SANS, and Bio-SANS instruments, which are located at the Spallation Neutron Source and High Flux Isotope Reactor, is described. The software and the rigorous development methods employed have positively impacted the scientific programs on the three SANS instruments.

Original language	English
Article number	101101
Journal	SoftwareX
Volume	19
DOIs	https://doi.org/10.1016/j.softx.2022.101101
State	Published - Jul 2022

Funding

This research used resources at the Spallation Neutron Source and High Flux Isotope Reactor, DOE Office of Science User Facilities operated by the Oak Ridge National Laboratory, USA. This manuscript has been authored by UT-Battelle, LLC under Contract DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). The U.S. government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

Keywords

Data reduction
Large-scale user facility
Small-angle neutron scattering

Access to Document

10.1016/j.softx.2022.101101

Cite this

Heller, W. T., Hetrick, J., Bilheux, J., Calvo, J. M. B., Chen, W. R., DeBeer-Schmitt, L., Do, C., Doucet, M., Fitzsimmons, M. R., Godoy, W. F., Granroth, G. E., Hahn, S., He, L., Islam, F., Lin, J., Littrell, K. C., McDonnell, M., McGaha, J., Peterson, P. F., ... Wu, B. (2022). drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory. SoftwareX, 19, Article 101101. https://doi.org/10.1016/j.softx.2022.101101

@article{99f27e5185c746a3b283ce5b835234b9,

title = "drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory",

abstract = "Data reduction is a critical step in a small-angle neutron scattering experiment. It corrects the data for instrument-specific artefacts, making it ready for analysis, interpretation, as well as for comparison against data collected with different small-angle neutron scattering instruments. Here, the drtsans software package developed at Oak Ridge National Laboratory for data reduction for the EQ-SANS, GP-SANS, and Bio-SANS instruments, which are located at the Spallation Neutron Source and High Flux Isotope Reactor, is described. The software and the rigorous development methods employed have positively impacted the scientific programs on the three SANS instruments.",

keywords = "Data reduction, Large-scale user facility, Small-angle neutron scattering",

author = "Heller, {William T.} and John Hetrick and Jean Bilheux and Calvo, {Jose M.Borreguero} and Chen, {Wei Ren} and Lisa DeBeer-Schmitt and Changwoo Do and Mathieu Doucet and Fitzsimmons, {Michael R.} and Godoy, {William F.} and Granroth, {Garrett E.} and Steven Hahn and Lilin He and Fahima Islam and Jiao Lin and Littrell, {Kenneth C.} and Marshall McDonnell and Jesse McGaha and Peterson, {Peter F.} and Pingali, {Sai Venkatesh} and Shuo Qian and Savici, {Andrei T.} and Yingrui Shang and Stanley, {Christopher B.} and Urban, {Volker S.} and Whitfield, {Ross E.} and Chen Zhang and Wenduo Zhou and Billings, {Jay Jay} and Cuneo, {Matthew J.} and Leal, {Ricardo M.Ferraz} and Tianhao Wang and Bin Wu",

note = "Publisher Copyright: {\textcopyright} 2022 The Author(s)",

year = "2022",

month = jul,

doi = "10.1016/j.softx.2022.101101",

language = "English",

volume = "19",

journal = "SoftwareX",

issn = "2352-7110",

publisher = "Elsevier",

}

Heller, WT , Hetrick, J , Bilheux, J, Calvo, JMB, Chen, WR , DeBeer-Schmitt, L , Do, C , Doucet, M, Fitzsimmons, MR, Godoy, WF , Granroth, GE , Hahn, S , He, L , Islam, F, Lin, J, Littrell, KC , McDonnell, M, McGaha, J, Peterson, PF , Pingali, SV , Qian, S , Savici, AT , Shang, Y , Stanley, CB , Urban, VS, Whitfield, RE, Zhang, C, Zhou, W, Billings, JJ, Cuneo, MJ, Leal, RMF, Wang, T & Wu, B 2022, 'drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory', SoftwareX, vol. 19, 101101. https://doi.org/10.1016/j.softx.2022.101101

TY - JOUR

T1 - drtsans

T2 - The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory

AU - Heller, William T.

AU - Hetrick, John

AU - Bilheux, Jean

AU - Calvo, Jose M.Borreguero

AU - Chen, Wei Ren

AU - DeBeer-Schmitt, Lisa

AU - Do, Changwoo

AU - Doucet, Mathieu

AU - Fitzsimmons, Michael R.

AU - Godoy, William F.

AU - Granroth, Garrett E.

AU - Hahn, Steven

AU - He, Lilin

AU - Islam, Fahima

AU - Lin, Jiao

AU - Littrell, Kenneth C.

AU - McDonnell, Marshall

AU - McGaha, Jesse

AU - Peterson, Peter F.

AU - Pingali, Sai Venkatesh

AU - Qian, Shuo

AU - Savici, Andrei T.

AU - Shang, Yingrui

AU - Stanley, Christopher B.

AU - Urban, Volker S.

AU - Whitfield, Ross E.

AU - Zhang, Chen

AU - Zhou, Wenduo

AU - Billings, Jay Jay

AU - Cuneo, Matthew J.

AU - Leal, Ricardo M.Ferraz

AU - Wang, Tianhao

AU - Wu, Bin

PY - 2022/7

Y1 - 2022/7

N2 - Data reduction is a critical step in a small-angle neutron scattering experiment. It corrects the data for instrument-specific artefacts, making it ready for analysis, interpretation, as well as for comparison against data collected with different small-angle neutron scattering instruments. Here, the drtsans software package developed at Oak Ridge National Laboratory for data reduction for the EQ-SANS, GP-SANS, and Bio-SANS instruments, which are located at the Spallation Neutron Source and High Flux Isotope Reactor, is described. The software and the rigorous development methods employed have positively impacted the scientific programs on the three SANS instruments.

AB - Data reduction is a critical step in a small-angle neutron scattering experiment. It corrects the data for instrument-specific artefacts, making it ready for analysis, interpretation, as well as for comparison against data collected with different small-angle neutron scattering instruments. Here, the drtsans software package developed at Oak Ridge National Laboratory for data reduction for the EQ-SANS, GP-SANS, and Bio-SANS instruments, which are located at the Spallation Neutron Source and High Flux Isotope Reactor, is described. The software and the rigorous development methods employed have positively impacted the scientific programs on the three SANS instruments.

KW - Data reduction

KW - Large-scale user facility

KW - Small-angle neutron scattering

UR - http://www.scopus.com/inward/record.url?scp=85131138242&partnerID=8YFLogxK

U2 - 10.1016/j.softx.2022.101101

DO - 10.1016/j.softx.2022.101101

M3 - Article

AN - SCOPUS:85131138242

SN - 2352-7110

VL - 19

JO - SoftwareX

JF - SoftwareX

M1 - 101101

ER -

drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this