SNAP diffraction dataset for 2023 SMC data challenge

Peterson, Peter; Guthrie, Malcom; Granroth, Garrett

doi:10.13139/ORNLNCCS/1968472

Title: SNAP diffraction dataset for 2023 SMC data challenge

Dataset
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Abstract

The data provided this challenge is ice under high pressure measured using the Spallation Neutrons and Pressure Diffractometer (SNAP) 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 a single NXdata entry within a single NXentry. The NXdata has several fields denoting the 3-dimensional data (signal), the axes (D0 is the Qx axis, D1 is the Qy axis, and D2 is the Qz axis), and fields for the uncertainties and masking information. The data can be quickly viewed using the LoadMD algorithm and slice viewer in the Mantid workbench https://www.mantidproject.org.

Authors:

Peterson, Peter; Guthrie, Malcom; Granroth, Garrett

ORNL-OLCF

Publication Date:: Fri Apr 14 04:00:00 UTC 2023

DOE Contract Number:: AC05-00OR22725

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: Office of Science (SC); Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Subject:: 36 MATERIALS SCIENCE

OSTI Identifier:: 1968472

DOI:: https://doi.org/10.13139/ORNLNCCS/1968472

Citation Formats


                    Peterson, Peter, Guthrie, Malcom, and Granroth, Garrett. SNAP diffraction dataset for 2023 SMC data challenge.  United States: N. p., 2023. 
        Web.  doi:10.13139/ORNLNCCS/1968472.

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                    Peterson, Peter, Guthrie, Malcom, & Granroth, Garrett. SNAP diffraction dataset for 2023 SMC data challenge.  United States.  doi:https://doi.org/10.13139/ORNLNCCS/1968472

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                    Peterson, Peter, Guthrie, Malcom, and Granroth, Garrett. 2023.  
"SNAP diffraction dataset for 2023 SMC data challenge".  United States.  doi:https://doi.org/10.13139/ORNLNCCS/1968472.  https://www.osti.gov/servlets/purl/1968472. Pub date:Fri Apr 14 04:00:00 UTC 2023

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@article{osti_1968472,

  title        = {SNAP diffraction dataset for 2023 SMC data challenge},

  author       = {Peterson, Peter and Guthrie, Malcom and Granroth, Garrett},

  abstractNote = {The data provided this challenge is ice under high pressure measured using the Spallation Neutrons and Pressure Diffractometer (SNAP) 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 a single NXdata entry within a single NXentry. The NXdata has several fields denoting the 3-dimensional data (signal), the axes (D0 is the Qx axis, D1 is the Qy axis, and D2 is the Qz axis), and fields for the uncertainties and masking information. The data can be quickly viewed using the LoadMD algorithm and slice viewer in the Mantid workbench https://www.mantidproject.org.},

  doi          = {10.13139/ORNLNCCS/1968472},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 14 04:00:00 UTC 2023},

  month        = {Fri Apr 14 04:00:00 UTC 2023}

}

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DOI: https://doi.org/10.13139/ORNLNCCS/1968472

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