AndreaBozzo/ceres-open-data-index huggingface dataset:
Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb

Data set from peer-reviewed publication:  D. M. Bailey et al., Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb, Analytical Chemistry, 92, 13759-13766 (2020).

As a potent greenhouse gas and an ozone depleting agent, nitrous oxide (N2O) plays a critical role in the global climate. Effective mitigation relies on understanding global sources and sinks, which can be supported through isotopic analysis. We present a cross-dispersed spectrometer, coupled with a mid-infrared frequency comb, capable of simultaneously monitoring all singly substituted, stable isotopic variants of N2O. Rigorous evaluation of the instrument lineshape function and data treatment using a Doppler-broadened, low-pressure gas sample are discussed. Laboratory characterization of the spectrometer demonstrates sub-GHz spectral resolution and an average precision of 6.7 x 10^{-6} for fractional isotopic abundance retrievals in 1 s.

Tags: environment-and-climate, greenhouse-gases, nitrous-oxide, optical-frequency-combs, remote-sensing, spectroscopy
Organization: National Institute of Standards and Technology
Dataset: Extracted Quotes from Community Reports Relevant to the Development of a NIST-MML Materials Data Strategy

The dataset consists of 375 extracted quotes from 31 community reports relevant to the development of a materials data strategy for the NIST Materials Measurement Laboratory (MML). The dataset is used in the NIST internal report "A Materials Data Strategy." In the past decade, numerous public and private sector documents have highlighted the need for materials data to facilitate advanced technologies in myriad industrial and economic sectors. These documents have been analyzed to identify prevalent gaps in the establishment of an interconnected materials data infrastructure akin to that envisioned in the federal agency-wide Materials Genome Initiative. The internal report uses a uniform schematic format to portray these gaps, illustrate progress in addressing the gaps, and propose an MML roadmap of action items to further address the gaps.

Tags: materials-data-materials-data-infrastructure-artificial-intelligence-materials-genome-initiativ
Organization: National Institute of Standards and Technology
REMI: Resource for Materials Informatics

The REsource for Materials Informatics (REMI) will host a diverse collection of scripting notebooks (Jupyter, Matlab LiveScripts, etc.) for collecting, pre-processing, analyzing, and visualizing materials data. Notebooks are curated using tags aligned to Materials Science and Data Science topics. REMI emerged from the realization that both experts and novices wanted examples of using machine learning for science. Meanwhile, lots of experts are developing digital notebooks (e.g. Jupyter) to demonstrate step-by-step data collection, pre-processing, analysis and visualization. However, before REMI there were no indexed repositories of notebooks with such examples and no community to maintain, build or learn from these resources. REMI aims to fill this gap, enabling scientists to more easily pick up machine learning while also helping to build a community for sharing knowledge, discussing, debating, establish collaborations, and benchmarking methods.

Tags: data-analysis, data-processing, machine-learning, materials-genome-initiative, materials-science
Organization: National Institute of Standards and Technology
Albatross Species Chemical Database and Annotated Bibliography

Database and annotated bibliography of contaminants in tissues from albatross (Family Diomedeidae) species. Database is saved as current Microsoft Access 365 .accdb file and a backward compatible to Access 2000 .mdb  file and a Microsoft Excel .xlsx file  which has the database output information, introduction with description of headers, and some derived data. A free viewer for Excel is at: https://www.microsoft.com/en-us/p/xlsx-viewer-free/9nblggh6hbf4?activetab=pivot:overviewtab. These data supersede https://doi.org/10.18434/m31933.

Tags: chemistry, environment-and-climate, heavy-metals, inorganic, mercury, organic, pahs, pbdes, pcbs, pcdds, pcdf, perflourinated-acids, phenols, seabird, stable-isotopes, tissues, toxicology-pesticides, trace-elements
Organization: National Institute of Standards and Technology
Supplemental Data for "Constraining the decline of the lunar dynamo field at ? 3.1 Ga through paleomagnetic analysis of Apollo 12 mare basalts"

Supplemental data for the manuscript entitled "Constraining the decline of the lunar dynamo field at ? 3.1 Ga through paleomagnetic analysis of Apollo 12 mare basalts" by Strauss et al. (submitted 2020). This dataset includes: - Ar-Ar data following the reporting guidelines of Renne et al. (2009) - Paleomagnetism data compatible with PaleoMag software - Microprobe measurement data and text

Tags: apollo, basalt, geochronology, geology, geophysics, isotope, lunar, microprobe, paleomagnetism, rock-magnetism
Organization: National Institute of Standards and Technology
Cover smart, do your part, slow the spread. My Stay-at-Home Lab Shows How Face Coverings Can Slow the Spread of Disease

This dataset illustrates the fluid dynamics of human coughing and breathing by using schlieren imaging. This dataset was used to help inform the general public about the importance of face coverings during the COVID-19 global pandemic.

Tags: cough, covid-19, face-covering, face-mask, flow-visualization, schlieren-imaging
Organization: National Institute of Standards and Technology
Results of single-cell and single-transcript measurements collected for Bias and Resolvability Attribution using Split Samples (BRASS) study

Results of single-cell and single-transcript measurements collected as part of the Bias and Resolvability Attribution using Split Samples (BRASS) study.  Each file is a list of fluorescence intensities per cell (or estimated RNA counts per cell), for each of 12 different methods, for 3 biological replicates.

Tags: fish, flow-cytometry, hcr, microscopy, single-cell, single-transcript
Organization: National Institute of Standards and Technology
Dataset: An Open Combinatorial Diffraction Dataset Including Consensus Human and Machine Learning Labels with Quantified Uncertainty for Training New Machine Learning Models

The open dataset, software, and other files accompanying the manuscript "An Open Combinatorial Diffraction Dataset Including Consensus Human and Machine Learning Labels with Quantified Uncertainty for Training New Machine Learning Models," submitted for publication to  Integrated Materials and Manufacturing Innovations.Machine learning and autonomy are increasingly prevalent in materials science, but existing models are often trained or tuned using idealized data as absolute ground truths. In actual materials science, "ground truth" is often a matter of interpretation and is more readily determined by consensus. Here we present the data, software, and other files for a study using as-obtained diffraction data as a test case for evaluating the performance of machine learning models in the presence of differing expert opinions. We demonstrate that experts with similar backgrounds can disagree greatly even for something as intuitive as using diffraction to identify the start and end of a phase transformation. We then use a logarithmic likelihood method to evaluate the performance of machine learning models in relation to the consensus expert labels and their variance. We further illustrate this method's efficacy in ranking a number of state-of-the-art phase mapping algorithms. We propose a materials data challenge centered around the problem of evaluating models based on consensus with uncertainty. The data, labels, and code used in this study are all available online at data.gov, and the interested reader is encouraged to replicate and improve the existing models or to propose alternative methods for evaluating algorithmic performance.

Tags: combinatorial-methods, human-labeling, machine-learning-models, open-data-challenge, quantified-uncertainyy, v-nb-o-thin-films, x-ray-diffraction
Organization: National Institute of Standards and Technology
Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data

Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an R Markdown script to reproduce the manuscript's figures.

Tags: mass-spectrometry, per-and-polyfluoroalkyl-substances, pfas, reference-mass-spectrum, uncertainty-analysis
Organization: National Institute of Standards and Technology
Data from: NIST Properties of Molten Salts Database (formerly SRD 27)

NIST distributed the NIST Properties of Molten Salts Database from 1990 to 2004. As part of the NIST Standard Reference Data Program, the database was designated as Standard Reference Database 27 or SRD 27. Since the database has not been actively maintained since 1991 the SRD designation has been dropped. The database was distributed as a program for DOS compatible operating systems. To enable use of the data on modern systems, the data have been extracted into comma separated variable (CSV) files. The CSV format should be readable by various programs and provides a stable format for long term preservation of the data. The database was designed to provide engineers and scientists rapid access to critically evaluated data for inorganic salts in the molten state. Properties include density, viscosity, electrical conductance, and surface tension, although not all properties are given for all salts. Properties for approximately 320 single salts and 4,000 multi-component systems are included, the latter being primarily binary. Some data for more complex salt mixtures are also given.

Tags: density, electrical-conductivity, molten-salts, surface-tension, viscosity
Organization: National Institute of Standards and Technology
Inventory of Community Resilience Indicators & Assessment Frameworks

This dataset is an inventory of existing quantitative resilience frameworks, indicators, and measures that have been evaluated and entered into a database according to a standardized methodology. The inventory is a broad inventory of existing resilience indicators (whether proposed or applied) and key information for each indicator. The indicators span all systems likely to be included in the assessment methodology, including physical systems (e.g., buildings and infrastructure), social and economic systems, and natural systems (e.g., natural environment). The inventory is a foundational component of the Community Resilience Program's project that is aimed at developing a first-generation methodology to assess resilience at the community-scale based on community functions, supported by buildings and infrastructure systems, and the recovery of those functions following a disruptive hazard event. One aspect of this work is to identify the types of indicators that should be used as proxies to represent system attributes, dimensions, and dependencies.

Tags: community-resilience, economic-system, framework, indicators, measurement, methodology, metrics, natural-system, physical-system, resilience, social-system
Organization: National Institute of Standards and Technology
HVAC SIMulation PLUS other systems (HVACSIM+)

The first version of HVACSIM+, which stands for "HVAC SIMulation PLUS other systems", was introduced by National Institute of Standards and Technology (NIST) in 1985 as a computer simulation tool to simulate entire building systems. Since then, the HVACSIM+ computer program package and manuals have been distributed to researchers, students, and consultants in more than 40 countries around the world. Since the first distribution of the program to the public, a number of modifications have been made including the addition of the component models developed for the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) 825 project.

Tags: building-control-systems, cyber-physical-systems, energy, energy-efficiency, heating, modeling-and-simulation-research-and-numerical-methods-and-software, ventilation-and-air-conditioning-equipment
Organization: National Institute of Standards and Technology
Estimating the Effect of 16 CFR Part 1633 on Fire Outcomes: Data Release

This data set contains the data and scripts used to generate the tables in NIST Technical Note 2092. The tables as built by these scripts will differ from those in the published report in terms of formatting and will be in html, but otherwise will be identical to those in NIST Technical Note 2092.

The zip file contains five files, including R Data files containing data used in the analysis, an R Markdown script file, and R Data files containing results of the analysis.

The index.html file in the zip file contains a detailed description of the files in the zip file and detailed instructions on their use.

Tags: 16-cfr-part-1633, bed-fires, fire-data, fire-deaths, fire-injuries, fire-standard-effectiveness, fire-standards, fires, home-fires, mattress-fires
Organization: National Institute of Standards and Technology
Software for solving large-scale generalized eigenvalue problems on distributed computers.

Open source software for solving large-scale generalized eigenvalue problems on distributed computers. Suitable for large (80,000 by 80,000 or greater) dense matrices. Written in Fortran90+. Includes a test program and sample output. In particular, this distribution, MPI_GEVP_Package.tar.gz, consists of  documentation (HowTo_MPI_GEVP_inviter.pdf), a collection of output files, and the software distribution itself. To use the software, download MPI_GEVP_package.tar.gz, unwrap it, and follow the instructions in the HowTo to compile the solver and another program for generating test matrix elements. Then run various tests and compare the results with the output found in the various Output files.

Tags: high-performance-computing-visualization
Organization: National Institute of Standards and Technology
Optical scattering measurements and simulation data for one-dimensional (1-D) patterned periodic sub-wavelength features

This data set consists of both measured and simulated optical intensities scattered off periodic line arrays, with simulations based upon an average geometric model for these lines.  These data were generated in order to determine the average feature sizes based on optical scattering, which is an inverse problem for which solutions to the forward problem are calculated using electromagnetic simulations after a parameterization of the feature geometry. Here, the array of features measured and modeled is periodic in one-dimension (i.e., a line grating) with a nominal line width of 100 nm placed at 300 nm intervals, or pitch = 300 nm; the short-hand label for the features is "L100P300." The entirety of the modeled data is included, over two thousand simulations that are indexed using a top, middle, and bottom linewidth as floating parameters.  Two subsets of these data, featuring differing sampling strategies, are also provided.  This data set also contains angle-resolved optical measurements with uncertainties for nine arrays which differ in their dimensions due to lithographic variations using a focus/exposure matrix, as identified in a previous publication (https://doi.org/10.1117/12.777131). We have previously reported line widths determined from these measurements based upon non-linear regression to compare theory to experiment.  Machine learning approaches are to be fostered for solving such inverse problems.  Data are formatted for direct use in "Model-Based Optical Metrology in R: MoR" software which is also available from data.nist.gov. (https://doi.org/10.18434/T4/1426859). Note: Certain commercial materials are identified in this dataset in order to specify the experimental procedure adequately.  Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials are necessarily the best available for the purpose.

Tags: angle-resolved-scattering, bright-field-microscopy, electromagnetic-simulations, experimental, gratings, inverse-problems, machine-learning, microscopy, patterned-semiconductors, scatterfield-microscopy, scattering, semiconductors, simulations
Organization: National Institute of Standards and Technology
Data to accompany the paper "Entropy Scaling of Viscosity -- II: Predictive Scheme for Normal Alkanes"

Viscosity data for normal alkanes (methane, ethane, etc.) taken from the literature to accompany the paper "Entropy Scaling of Viscosity -- II: Predictive Scheme for Normal Alkanes". The data were obtained from an internal version of the NIST ThermoDataEngine database version 10.4.2. File contents include 

## Contents ##

* MIDAS_alkanes.csv: The data file containing all the data considered in this study

* MIDAS_alkanes.bib: The bibliography associated with each datasource in BibTeX format

* allbibs.pdf: A PDF conversion of the bibliography

## Data File format ## 

* The data are in a comma-separated text format, with the column headings indicating the contents of the column, along with units, where appropriate

* The phase indicates how the data were measured "L" indicates a liquid phase, "G" a gas phase, "G L" a saturated vapor, and "L G" a saturated liquid

* For saturated states ("G L" or "L G"), the saturation temperature fully specifies the state

* For liquid and gaseous states, either the temperature and pressure or temperature and density are provided, and the unused state variable is empty

* Fluid names match the default names of the compound from NIST REFPROP library

* The column "TRC_code" indicates the reference code for the data point, and the same references (with spaces and & replaced with hyphens) are used as keys in the BibTeX file

Tags: entropy, thermodataengine, viscosity-data
Organization: National Institute of Standards and Technology
NeXLSpectrum.jl - Spectrum/HyperSpectrum tools for the Julia Language

NeXLSpectrum is a collection of tools for reading, writing and processing X-ray spectra.  It includes methods to read common spectrum and hyperspectrum formats, extract spectral data, plot the spectra with common spectrum markers, and perform filter-fitting.  The fitting algorithm has been optimized for both speed and low memory usage (<1 ms and 160 kB per spectrum for 6 elements on a single thread).

Tags: epma, hyper-spectrum, linear-least-squares-fitting, spectrum, spectrum-analysis, x-ray
Organization: National Institute of Standards and Technology
Supplemental data for "Comparison of measured and simulated spin-wave mode spectra of magnetic nanostructures" by H. T. Nembach, R.D. McMichael, M.L. Schneider, J.M. Shaw, T.J. Silva.

Supplemental data for "Comparison of measured and simulated spin-wave mode spectra of magnetic nanostructures" by H. T. Nembach, R.D. McMichael, M.L. Schneider, J.M. Shaw, T.J. Silva.1) Experimental spectra of approximately elliptical, 100 nm or 200 nm elliptical magnetic structures. 2) SEM images of the magnetic structures 3) Scripts and data used in micromagnetic modeling and simulated measurements of the structures.  Experiment:  In this work, we prepared two sets of Ni80Fe20 elliptical nanomagnets with nominal long axes lengths (short axes lengths) of 240 nm (200 nm) and 120 nm (100 nm): Thin-film layers of 3 nm Ta/10 nm Ni80Fe20/5 nm Si3N4 were dc-magnetron sputtered onto a sapphire substrate before a 15-nm diamond-like carbon (DLC) layer was deposited via ion-beam deposition in a separate vacuum chamber. The spin wave mode spectra of the magnetization dynamics were measured with a heterodyne magneto-optical microwave microscope (H-MOMM) Simulations: We carried out micromagnetic simulations using the Object Oriented MicroMagnetic Framework (OommF). To determine the shape for modeled nanomagnets, greyscale SEM images of the nanomagnets were converted into binary images using a thresholding algorithm. The original SEM images were given a Gaussian blur over 1.4 nm (3 pixels), rescaled by 25 % and given a secondary blur over 3.8 nm. A threshold value was determined using Otsu's method.  The simulated spectra were extracted from impulse response calculations made at an array of applied field values in the experimental range. The modeling also provides the spatial profile of the spin wave modes. The bulk of the data is associated with the micromagnetic modeling.  Files include OommF input '.mif' scripts, sample masks, modeling output and python scripts for analysis and plotting, and the resulting figures.

Tags: ferromagnetic-resonance, hmomm, micromagnetic, nanomagnet, oommf, spin-wave
Organization: National Institute of Standards and Technology
Comparison of primary laser spectroscopy and mass spectrometry methods for measuring mass concentration of gaseous elemental mercury

Data for mass concentration analysis and spectral analysis for the paper titled, "Comparison of primary laser spectroscopy and mass spectrometry methods for measuring mass concentration of gaseous elemental mercury"

Tags: environment-and-climate, id-cv-icp-ms, laser-absorption-spectroscopy, mercury, primary-measurement-method, si-traceability, standard-generator
Organization: National Institute of Standards and Technology
AWS-3 LTE Impacts on Aeronautical Mobile Telemetry

This data is provided as a supplement to NIST Technical Note 2140, AWS-3 LTE Impacts on AMT, which presents test results assessing the impact of adjacent-band long term evolution (LTE) emissions on aeronautical mobile telemetry (AMT) systems.  The data provided here is sufficient to reproduce all of the plots and analyses in Chapters 5 and 6, and Appendices B, C, D, and E, which present the data analysis results.  All files are spreadsheets in comma-separated values (CSV) format, with labeled columns for various key performance indicators (KPIs) and test configurations.  See the data description document provided in the zip file for an outline of the contents and the technical note referenced above for details on the data collection.

Tags: aeronautical-mobile-telemetry, lte, receiver-testing, spectrum-sharing
Organization: National Institute of Standards and Technology
NeXLMatrixCorrection.jl - A library implementing algorithms related to matrix correction of electron excited X-ray spectra

A library implementing basic matrix correction algorithms, iteration algorithms and other quantitative correction algorithms related to estimating the composition from X-ray intensity data.  Includes implementations of various common matrix correction algorithms for bulk samples and provides a framework for additional algorithms to be added.

Tags: epma, matrix-correction, phirho-z, x-ray-microanalysis, zaf
Organization: National Institute of Standards and Technology
Bote-Salvat Ionization Cross Section library for the Julia language

An implementation of the Bote-Salvat ionization cross-section parameterized algorithm for electron image up to 1 GeV.  Based on *   D. Bote and F. Salvat, "Calculations of inner-shell ionization by electron impact with the distorted-wave and plane-wave Born approximations", Phys. Rev. A77, 042701 (2008). *   Bote, David, et al. "Cross sections for ionization of K, L and M shells of atoms by impact of electrons and positrons with energies up to 1 GeV: Analytical formulas." Atomic Data and Nuclear Data Tables 95.6 (2009): 871-909.

Tags: cross-section, electron, inner-shell, ionization
Organization: National Institute of Standards and Technology