NOMAD total scattering dataset for SMC data challenge

10.13139/ORNLNCCS/1861435

The data provided for this challenge was measured using the Nanoscale-Ordered Materials Diffractometer (NOMAD) at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. The data is stored in a hdf5 file following the NeXus standard and can be read with tools built for either. While the NeXus format is self-describing, there is benefit to explaining some details. The data is stored in 4 NXentries in the file. The NXentries that begin with 'amorphous_SiO2' are for the amorphous data, and the NXentries that begin with 'crystalbolite_SiO2' are for the crystalline material. Solutions that were produced by the scientist are in the entries that end with '_byhand'. Each of the NXdata groups are the plottable data with the 'signal', axes, and (in the case of by-hand components) 'auxiliary_signals' describing which fields should be used. The by-hand component ranges are listed in a 'component' attribute of the various signals. The filtered Sr data is the Fourier transform of the combined components. The data can be quickly viewed using tools such as Nexpy or HDFview. Most languages have libraries that can work with HDF5 (eg. H5py for python) a partial list is provided at https://manual.nexusformat.org/utilities.html The data can be quickly viewed using tools such as Nexpy or HDFview. https://neutrons.ornl.gov/nomad https://www.hdfgroup.org/solutions/hdf5 https://www.nexusformat.org/

Published: 2022-04-11 16:25:38 Download Dataset

Dataset Properties

Field Value
Authors
  • Peterson, Peter Oak Ridge National Laboratory
  • Neuefiend, Joerg Oak Ridge National Laboratory
  • Proffen, Thomas Oak Ridge National Laboratory
  • Granroth, Garrett Oak Ridge National Laboratory
Project Identifier N/A
Dataset Type ND Numeric Data
Subjects
  • 36 MATERIALS SCIENCE
Software Needed hdf5
Originating Organizations Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organizations Office of Science (SC);Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
DOE Contract DE-AC05- 00OR22725

Acknowledgements

Papers using this dataset are requested to include the following text in their acknowledgements:

*Support for 10.13139/ORNLNCCS/1861435 is provided by the U.S. Department of Energy, project N/A under Contract DE-AC05- 00OR22725. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility.