U.S. Department of EnergyOffice of Scientific and Technical Information
NOMAD total scattering dataset for SMC data challenge
Abstract
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 âamorphous_SiO2â are for the amorphous data, and the NXentries that begin with âcrystalbolite_SiO2â are for the crystalline material. Solutions that were produced by the scientist are in the entries that end with â_byhandâ. Each of the NXdata groups are the plottable data with the âsignalâ, âaxes", and (in the case of by-hand components) âauxiliary_signalsâ describing which fields should be used. The by-hand component ranges are listed in a âcomponentâ 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 usingmore »
- Authors:
- Publication Date:
- DOE Contract Number:
- DE-AC05- 00OR22725
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
- Sponsoring Org.:
- USDOE Office of Science (SC); Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Subject:
- 36 MATERIALS SCIENCE
- OSTI Identifier:
- 1861435
- DOI:
- https://doi.org/10.13139/ORNLNCCS/1861435
Citation Formats
Peterson, Peter, Neuefiend, Joerg, Proffen, Thomas, and Granroth, Garrett. NOMAD total scattering dataset for SMC data challenge. United States: N. p., 2022.
Web. doi:10.13139/ORNLNCCS/1861435.
Peterson, Peter, Neuefiend, Joerg, Proffen, Thomas, & Granroth, Garrett. NOMAD total scattering dataset for SMC data challenge. United States. doi:https://doi.org/10.13139/ORNLNCCS/1861435
Peterson, Peter, Neuefiend, Joerg, Proffen, Thomas, and Granroth, Garrett. 2022.
"NOMAD total scattering dataset for SMC data challenge". United States. doi:https://doi.org/10.13139/ORNLNCCS/1861435. https://www.osti.gov/servlets/purl/1861435. Pub date:Mon Apr 11 00:00:00 EDT 2022
@article{osti_1861435,
title = {NOMAD total scattering dataset for SMC data challenge},
author = {Peterson, Peter and Neuefiend, Joerg and Proffen, Thomas and Granroth, Garrett},
abstractNote = {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 âamorphous_SiO2â are for the amorphous data, and the NXentries that begin with âcrystalbolite_SiO2â are for the crystalline material. Solutions that were produced by the scientist are in the entries that end with â_byhandâ. Each of the NXdata groups are the plottable data with the âsignalâ, âaxes", and (in the case of by-hand components) âauxiliary_signalsâ describing which fields should be used. The by-hand component ranges are listed in a âcomponentâ 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/},
doi = {10.13139/ORNLNCCS/1861435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2022},
month = {4}
}