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Updated: Feb 4, 2026

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Advances in utilizing event based data structures for neutron scattering experiments
Peter F Peterson1, Daniel Olds1, Andrei T Savici1
1Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
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. Finally, we demonstrate a model independent method of grouping data via hierarchical clustering methods that can be used to improve calibration, reduction, and data exploration.
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