skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Advances in utilizing event based data structures for neutron scattering experiments

Abstract

This article strives to expand on existing work to demonstrate advancements in data processing made available using event mode measurements. Most spallation neutron sources in the world have data acquisition systems that provide event recording. The new science that is enabled by utilizing event mode has only begun to be explored. In the past, these studies were difficult to perform because histograms forced dealing with either large chunks of time or a large number of files. With event based data collection, data can be explored and rebinned long after the measurement has completed. This article will review some of the principles of event data and how the method opens up new possibilities for in situ measurements, highlighting techniques that can be used to explore changes in the data. We also demonstrate the statistical basis for determining data quality and address the challenge of determining how long to measure mid-measurement. Lastly, we demonstrate a model independent method of grouping data via hierarchical clustering methods that can be used to improve calibration, reduction, and data exploration.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1486961
Alternate Identifier(s):
OSTI ID: 1471794
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Review of Scientific Instruments
Additional Journal Information:
Journal Volume: 89; Journal Issue: 9; Journal ID: ISSN 0034-6748
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; neutron scattering; Poisson statistics; clustering; machine learning; diffraction

Citation Formats

Peterson, Peter F., Olds, Daniel, Savici, Andrei T., and Zhou, Wenduo. Advances in utilizing event based data structures for neutron scattering experiments. United States: N. p., 2018. Web. https://doi.org/10.1063/1.5034782.
Peterson, Peter F., Olds, Daniel, Savici, Andrei T., & Zhou, Wenduo. Advances in utilizing event based data structures for neutron scattering experiments. United States. https://doi.org/10.1063/1.5034782
Peterson, Peter F., Olds, Daniel, Savici, Andrei T., and Zhou, Wenduo. Fri . "Advances in utilizing event based data structures for neutron scattering experiments". United States. https://doi.org/10.1063/1.5034782. https://www.osti.gov/servlets/purl/1486961.
@article{osti_1486961,
title = {Advances in utilizing event based data structures for neutron scattering experiments},
author = {Peterson, Peter F. and Olds, Daniel and Savici, Andrei T. and Zhou, Wenduo},
abstractNote = {This article strives to expand on existing work to demonstrate advancements in data processing made available using event mode measurements. Most spallation neutron sources in the world have data acquisition systems that provide event recording. The new science that is enabled by utilizing event mode has only begun to be explored. In the past, these studies were difficult to perform because histograms forced dealing with either large chunks of time or a large number of files. With event based data collection, data can be explored and rebinned long after the measurement has completed. This article will review some of the principles of event data and how the method opens up new possibilities for in situ measurements, highlighting techniques that can be used to explore changes in the data. We also demonstrate the statistical basis for determining data quality and address the challenge of determining how long to measure mid-measurement. Lastly, we demonstrate a model independent method of grouping data via hierarchical clustering methods that can be used to improve calibration, reduction, and data exploration.},
doi = {10.1063/1.5034782},
journal = {Review of Scientific Instruments},
number = 9,
volume = 89,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

FIG. 1 FIG. 1: The data presented is from a water (in a Al holder) sample measured on the instrument VISION12 as measured through the diffraction detectors as a function of measurement time with constant incident flux. The different wall clock tolerances are plotted for the detector pixels kept separately (a), andmore » for the detectors time focused into two back-scattering and 90-degree "banks" (b). At a value of one, the uncompressed line (not visible in (a)) represents storing all of the events separately. The black dashed compressed line is the minimum amount of weighted events needed to store the information that comes from ignoring the wall clock. The compression factors are different between (a) and (b) because there are not enough events in a single pixel to make the compression worthwhile. This was modified from figure 3 of reference 11.« less

Save / Share:

Works referenced in this record:

Event-based processing of neutron scattering data
journal, December 2015

  • Peterson, Peter F.; Campbell, Stuart I.; Reuter, Michael A.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 803
  • DOI: 10.1016/j.nima.2015.09.016

Emergence of Long-Range Order in BaTiO 3 from Local Symmetry-Breaking Distortions
journal, May 2016


Comparison of dissimilarity measures for cluster analysis of X-ray diffraction data from combinatorial libraries
journal, February 2017

  • Iwasaki, Yuma; Kusne, A. Gilad; Takeuchi, Ichiro
  • npj Computational Materials, Vol. 3, Issue 1
  • DOI: 10.1038/s41524-017-0006-2

Fast optimal leaf ordering for hierarchical clustering
journal, June 2001


Event-based processing of neutron scattering data at the Spallation Neutron Source
journal, May 2018

  • Granroth, Garrett E.; An, Ke; Smith, Hillary L.
  • Journal of Applied Crystallography, Vol. 51, Issue 3
  • DOI: 10.1107/s1600576718004727

First In Situ Lattice Strains Measurements Under Load at VULCAN
journal, October 2010

  • An, Ke; Skorpenske, Harley D.; Stoica, Alexandru D.
  • Metallurgical and Materials Transactions A, Vol. 42, Issue 1
  • DOI: 10.1007/s11661-010-0495-9

Synthesis and structure of synthetically pure and deuterated amorphous (basic) calcium carbonates
journal, January 2017

  • Wang, Hsiu-Wen; Daemen, Luke L.; Cheshire, Michael C.
  • Chemical Communications, Vol. 53, Issue 20
  • DOI: 10.1039/c6cc08848a

Hierarchical Density Estimates for Data Clustering, Visualization, and Outlier Detection
journal, July 2015

  • Campello, Ricardo J. G. B.; Moulavi, Davoud; Zimek, Arthur
  • ACM Transactions on Knowledge Discovery from Data, Vol. 10, Issue 1
  • DOI: 10.1145/2733381

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data
journal, September 2015


The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
journal, September 2012

  • Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287
  • DOI: 10.1016/j.nimb.2012.05.037

Accuracy of pair distribution function analysis applied to crystalline and non-crystalline materials
journal, May 1992

  • Toby, B. H.; Egami, T.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 48, Issue 3
  • DOI: 10.1107/s0108767391011327

Resolution of VISION, a crystal-analyzer spectrometer
journal, June 2009

  • Seeger, Philip A.; Daemen, Luke L.; Larese, John Z.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 604, Issue 3
  • DOI: 10.1016/j.nima.2009.03.204

Combinatorial appraisal of transition states for in situ pair distribution function analysis
journal, November 2017

  • Olds, Daniel; Peterson, Peter F.; Crawford, Michael K.
  • Journal of Applied Crystallography, Vol. 50, Issue 6
  • DOI: 10.1107/s1600576717015163

Beam power nonlinearity: twice the power, but not twice the neutrons?
journal, May 2018


Neutron scattering lengths and cross sections
journal, January 1992


Testing different methods for estimating uncertainties on Rietveld refined parameters using SrRietveld
journal, December 2011

  • Tian, Peng; Billinge, Simon
  • Zeitschrift für Kristallographie, Vol. 226, Issue 12
  • DOI: 10.1524/zkri.2011.1421

A profile refinement method for nuclear and magnetic structures
journal, June 1969


A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials
journal, March 2017

  • Olds, Daniel; Page, Katharine; Paecklar, Arnold
  • Review of Scientific Instruments, Vol. 88, Issue 3
  • DOI: 10.1063/1.4978287

Calculation of full-pattern neutron time-of-flight (TOF) powder diffraction patterns
journal, August 2017


Correction of neutron scattering lengths for electromagnetic interactions
journal, March 1996


Neutron Laue Diffraction Study on the Magnetic Phase Diagram of Multiferroic MnWO 4 under Pulsed High Magnetic Fields
journal, June 2011


Capturing the Details of N 2 Adsorption in Zeolite X Using Stroboscopic Isotope Contrasted Neutron Total Scattering
journal, December 2017


A generalized expression for the similarity of spectra: application to powder diffraction pattern classification
journal, January 2001


    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.