AndreaBozzo/ceres-open-data-index huggingface dataset:
Calculated Diffusivities for Water Isotopologues in Nitrogen, Oxygen, and Air

Values are computed for the dilute-gas diffusivity of water isotopologues in N2, O2, and their mixture at a composition representing air, for standard conditions of 101.325 kPa and water mole fraction approaching zero.  Calculations employ state-of-the-art intermolecular potentials and classical trajectory calculations as described in the paper by R. Hellmann and A.H. Harvey, "First-Principles Diffusivity Ratios for Kinetic Isotope Fractionation of Water in Air", published in Geophysical Research Letters volume 47, issue 18, article e2020GL089999 (2020), https://doi.org/10.1029/2020GL089999.  Separate files are given for the diffusivities of H2O, HDO (where D is deuterium), and the 17-O and 18-O substitutions of H2O.

Tags: air, diffusion, first-principles-calculations, isotopic-fractionation, kinetic-fractionation, kinetic-theory, nitrogen, oxygen, water
Organization: National Institute of Standards and Technology
Aggregation of Purified Protein Reference Materials Characterized by Asymmetric Flow Field Flow Fractionation

This is a file containing aggregation data for two proteins that were thermomechanically aggregated. The aggregated proteins were separated by asymmetric flow field flow fractionation and separated protein fractions were detected and quantified by UV spectrophotometry and multi-angle light scattering. The UV spectrophotometry was used to quantify the amount of residual monomer, which is reported herein. The multi-angle light scattering was fitted to a relevant model to calculate the molecular weight of the aggregated protein, also reported herein. The protein aggregation was characterized as a function of time and also the azide (preservative) concentration, which is indicated as being relevant to the aggregation process. The data contained here is plotted in a manuscript submitted to the Journal of Pharmaceutical Sciences and presented as part of that scientific record.

Tags: biosciences-and-health, electrical-sensing-zone, flow-imaging, light-obscuration, particle, protein-aggregate, protein-particle, subvisible-particle, visible-particle
Organization: National Institute of Standards and Technology
Diffraction data for SRM 1979

These datasets are the high-resolution data collected at the APS 11-BM synchrotron beamline, and used to certify the microstructural characteristics of the two components (15 nm and 60 nm nominal microscrystallites) of SRM 1979. They are presented as CIF files containing the data as collected and processed by the 11BM software to make uniformly-spaced angle step data files.  Each CIF contains the 'raw' data from 11BM, the same data with an angular scale corrected by refinement of SRM660c data collected in the same run, and finally a computed data set from a Rietveld structural fit to the results. There are 9 CIF files in the ZIP archive.  Each file is names xxxx_yy_nm_zzz.cif where xxxx is the run number at APS under which the data were collected, yy is either 15 or 60 for the nominal crystallite size, and zzz is the bottle number form the random sampling of the SRM used to take this measurement.

Tags: xray-power-diffraction-diverging-beam-diffractometer-power-diffraction-srm
Organization: National Institute of Standards and Technology
Supplementary Data for the paper "Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders" by E.J. Garboczi and N. Hrabe

Supplementary Data for the paper "Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders" by E.J. Garboczi and N. Hrabe. Contains all the data and programs described in this paper to generate the results discussed in the paper. Also contains all the results that are generated by the data and programs, with which the user can compare to check their results.

Tags: additive-manufacturing, image-analysis, laser-powder-bed-fusion, metal-powder, particle-shape-analysis, powder-analysis, powder-particles, ti64, titanium-alloy, x-ray-computed-tomography-spherical-harmonics
Organization: National Institute of Standards and Technology
Optical Modeling of Single Asian Dust and Marine Air Particles: A Comparison with Geometric Particle Shapes for Remote Sensing

The project that produced these data involved the analysis and modeling of atmospheric Asian dust particles and background marine air particles collected in Hawaii, USA at the Mauna Loa Observatory (MLO) of the National Oceanic and Atmospheric Administration. Individual heterogeneous dust particles were analyzed with focused ion-beam scanning electron microscopy and energy-dispersive X-ray spectroscopy. Three-dimensional spatial and composition models of the particles from focused ion-beam tomography were used in the calculation of optical properties by the discrete dipole approximation method with incident light at 589 nm. Optical properties included the phase function, extent of linear polarization, scattering, backscattering, and extinction cross sections, and the backscatter fraction. In addition, the project involved optical property calculations for particles as geometric shapes with volumes equivalent to those of the MLO particles. Shapes modeled for each particle included spheres, spheroids, ellipsoids, cubes, square prisms, rectangular prisms, tetrahedra, and triangular pyramids. The representation of particles as geometric shapes is an important component of algorithms used in remote sensing (satellite-based and ground-based) for determining how atmospheric dust affects climate. 


The dataset consists of Microsoft Excel and Word files, text files, and bitmap image files. The Asian dust particles in the dataset are labeled: CaMg 1D, CaMg 2N, CaMg 3D, CaMg 4N1, Ca-rich 1D, Ca-rich 2N, Ca-rich 3D, Ca-rich 4N1, Ca-rich 4N2. The background marine air particles are labeled: Ca-S 1D, Ca-S 2N, Ca-S 3D, Ca-S 4N.


Data are contained in seven folders arranged by the following topics:


1 -- Particle compositions by FIB-SEM-EDX and volumes of material phases within particles (folder: 1_Particle_Compositions_Volumes);
2 -- Spatial and optical parameters for optical modeling of particles and geometric shapes (folder: 2_Particles_Shapes_Spatial_Optical_Parameters (and subfolders));
3 -- Complex refractive indices for particles and shapes based on Maxwell Garnett average dielectric function (folder: 3_Complex_RIs_Maxwell_Garnett (and subfolders));
4 -- Results from discrete dipole approximation modeling software DDSCAT ver. 7.3 (folder: 4_DDSCAT_Scattering_Output (and subfolders));
5 -- Mueller scattering matrix elements (folder: 5_Matrix_Elements (and subfolders));
6 -- Root-mean-square calculations for phase function and degree of linear polarization (folder: 6_PhaseFunction_LinearPolarization_RMS);
7 -- Calculations for the backscatter fraction (folder: 7_Backscatter_Fraction)

Tags: asian-dust, atmospheric-aerosol, climate-change, discrete-dipole-approximation-method, edx, energy-dispersive-x-ray-spectroscopy, environment-and-climate, fib-sem, focused-ion-beam-scanning-electron-microscopy, focused-ion-beam-tomography, light-absorption, light-scattering, optical-property-modeling, radiative-forcing
Organization: National Institute of Standards and Technology
NIST STEP to X3D Translator (STP2X3D)

The NIST STEP to X3D Translator is open-source software that translates a STEP (ISO 10303) Part 21 file (.stp or .step) to an X3D (ISO/IEC 19776) file (.x3d) or X3DOM file (.html). Developed at the National Institute of Standards and Technology (NIST), the software is based on the Open CASCADE STEP Processor and written in C++.

Tags: 3d-models, engineering-design, smart-manufacturing, step, step-file-analyzer-and-viewer, translation, visualization, x3d, x3dom
Organization: National Institute of Standards and Technology
Evaluation of Thermal Optical Analysis Using an Aqueous Binary Mixture

This dataset contains measurements of organic carbon, elemental carbon, and total carbon in atmospheric particulate matter with the thermal-optical carbon analyzer. The data are associated with the following publication: C.D. Grimes, J.M. Conny, R.R. Dickerson, 2020, "Evaluation of Thermal-Optical Analysis Using an Aqueous Binary Mixture," Atmospheric Environment, in press. Below is the abstract for the publication.

Thermal-Optical Analysis (TOA), a commonly implemented technique used to measure the amount of particulate carbon in the atmosphere or deposited on a filter substrate, distinguishes organic carbon (OC) from elemental carbon (EC) through the monitoring of laser light, heating, and measuring evolved carbon.  Here, we present a method to characterize the TOA transmission method with an aqueous binary mixture containing EC and OC that can easily be deposited onto a filter at low volumes. Known amounts of EC and OC were deposited onto a quartz-fiber filter and analyzed with different temperature protocols.  Results with the NIST-EPA-C temperature protocol agreed with the reference values to better than 2 % for EC, OC, total carbon (TC), and EC/TC. Uncertainty in TC among all temperature protocols was less than 5 % of the reference value while all protocols had EC/TC ratios with an uncertainty less than 10 %.

Tags: black-carbon, elemental-carbon, organic-carbon, organic-carbon-aerosol, thermal-optical-transmission-analysis, tot
Organization: National Institute of Standards and Technology
LacI protein genotype-phenotype landscape data

This data table contains the processed data for the LacI genotype-phenotype landscape, a quantitative measurement of the phenotype for approximately 60,000 variants of the E. coli LacI protein. The table includes, for example, the DNA barcode sequencing counts and the estimated fitness for each variant across 24 different chemical environments. It also includes the estimated dose-response curves for each variant under induction with IPTG.

Tags: allostery, dna-barcode-sequencing, e-coli, engineering-biology, fitness-landscape, genotype-phenotype-relationships, lac-repressor
Organization: National Institute of Standards and Technology
Synthetic Temperature Data for P-Flash - A Machine Learning-Based Model for Flashover Prediction Using Recovered Temperature Data

This data set provides heat detector temperatures in a single story three-compartment structure. 1000 sets of detector temperatures are generated using CData [1]. The data set are obtained based on simulation runs with various t-squared fires. The peak heat release rate and time to peak range from approximately 50 kW to 2200 kW and from 50 s to 1400 s, respectively. A detailed description of this work can be found in Ref. [2]. [1] Tam, W.C., Fu, E.Y., Peacock, R., Reneke, P., Wang, J., Li, J. and Cleary, T., 2020. Generating synthetic sensor data to facilitate machine learning paradigm for prediction of building fire hazard. Fire Technology, pp.1-22. [2] Wang, J., Tam, W.C., Jia, Y., Peacock, R., Reneke, P., Fu, E.Y. and Cleary, T., 2021. P-Flash - A machine learning-based model for flashover prediction using recovered temperature data. Fire Safety Journal, 122, p.103341.

Tags: machine-learning-synthetic-temperature-data-flashover-occurrence-prediction-smart-firefighting
Organization: National Institute of Standards and Technology
A Tool to Model the Fate and Transport of Indoor Microbiological Aerosols

The web-based tool Fate and Transport of Indoor Microbiological Aerosols (FaTIMA) allows the determination of the fate of indoor microbiological aerosols associated with ventilation, filtration, deposition, and inactivation mechanisms. FaTIMA provides a representation of a single, well-mixed zone that is served by a mechanical ventilation system and incorporates source and removal mechanisms for an aerosol with a single, user-defined representative particle size. The simple mechanical ventilation system model allows specification of supply, return, and outdoor air intake rates to represent either a positive, negative or balanced ventilation system. Aerosol sources are provided to enable any combination of continuous, e.g., breathing-related emissions, or intermittent, e.g., coughing-related emissions. Aerosol removal mechanisms include filters within the ventilation system, room air cleaners, and deposition onto floors, walls, and ceilings. Simulations can be run for a 24-h period, with the results including the time history of the airborne concentration and surface loading, as well as integrated exposure of an occupant. Exposure is based on a uniform aerosol concentration within the zone and does not account for spatial differences in aerosol concentrations such as those due to momentum effects of respiratory emissions.

Tags: exposure, indoor-air-quality, modeling, pathogens, viruses
Organization: National Institute of Standards and Technology
Smart Investment Tool

This tool calculates metrics for investment analysis documented in NIST Advanced manufacturing Series 200-5. It calculates net present value, internal rate of return, and payback period along with executing sensitivity analysis using Monte Carlo techniques. The tool helps to identify the most economical projects/investments. For instance, it could be used to identify the most economical heating and cooling system or it might be used to rank a set of potential investments.

Tags: cost-effective, economics, internal-rate-of-return, investment, manufacturing, monte-carlo, net-present-value, payback
Organization: National Institute of Standards and Technology
Nexus-Experiment: an XML schema for describing data collected from electron microscopes

We share an XML Schema for describing data collected from a laboratory experiment in an organized way that attempts to communicate scientific intent and the phased process of data creation. It was developed as part of laboratory information management system (LIMS) prototyping effort by a collaboration at NIST between the NEXUS Microscopy facility (managed within the Materials Science and Engineering Division) and the Material Measurement Lab's Office of Data and Informatics. When a facility user reserves and then operates one of the facility microscopes, the LIMS system automatically gathers metadata from the reservation calendar, the files created by the instrument, and potentially other sources and organizes them into an XML document describing what was done. The system uses the NIST Configurable Data Curation System (CDCS) to display the document as a scientist-oriented summary of the microscopy experiment. The schema is fairly general and free of specifics tied to microscopy (apart perhaps from a reference to samples). This schema is expected to be a useful prototype not only across LIMS efforts within NIST but possibly more broadly across the global microscopy research community. The XML schema is fully documented internally, including definitions of all elements and types.

Tags: data-curation, laboratory-information-management-system-lims, laboratory-notebook, metadata, microscopy, sem, tem, xml-schema
Organization: National Institute of Standards and Technology
Independent Calculation of Move Lists for Incumbent Protection in a Multi-SAS Shared Spectrum Environment

In a shared spectrum environment, as is the case in the 3.5 GHz Citizens Broadband Radio Service (CBRS), the secondary users with lower priority are managed by independent spectrum access systems (SASs) in order to protect the incumbents with higher priority from interference. The interference protection is guaranteed in terms of a percentile of the aggregate interference power. The current practice requires each SAS to obtain a global snapshot of interference and use a common algorithm to manage it. We present a simplified method to permit each SAS to independently manage its users while still meeting overall aggregate interference protection requirements. The data include statistical upper bound on aggregate interference for some known distributions, which is the core idea of the proposed method. The data also include numerical results of using the proposed interference protection criterion in terms of two metrics, the total number of users moved from the channel in order to protect the incumbent (i.e., the size of the move list) and the realized aggregate interference of all co-channel users at the incumbent. The data is associated with the letter, "Independent Calculation of Move Lists for Incumbent Protection in a Multi-SAS Shared Spectrum Environment," M. R. Souryal and T. T. Nguyen, in IEEE Wireless Communication Letters, Jan. 2021.

Tags: aggregate-interference, cbrs, incumbent-protection, spectrum-access-system, spectrum-sharing
Organization: National Institute of Standards and Technology
Performance Evaluation of Proximity Services and Wi-Fi for PublicSafety Mission Critical Voice Application

Summary of  simulation results that are used to generate figures in a paper titled "Performance Evaluation of Proximity Services and Wi-Fi for PublicSafety Mission Critical Voice Application".  The paper was submitted to the special issue "Broadband Wireless Access for Rural and Remote Areas" of journal "Wireless Communications and Mobile Computing" on December 12, 2019.

Tags: access-time, coverage-range, direct-mode, mission-critical-push-to-talk-mcptt, mission-critical-voice-mcv, off-network-mode, proximity-services, wi-fi
Organization: National Institute of Standards and Technology
Measurement and Processed Data From A Graph Database Approach to Wireless IIoT Work-cell Performance Evaluation

The work-cell is an essential industrial environment for testing wireless communication techniques in factory automation processes. A graph database approach to storing and analyzing network performance data from a manufacturing factory work-cell is introduced. A robotic testbed performs a pick-and-place task using two collaborative grade robot arms, machine emulators, and wireless communication devices. A graph database is implemented to capture network data and operational event data among the actors within the testbed. Using a proposed schema, the database is then populated with events from the testbed and the resulting graph is constructed. Query commands are then presented to examine and analyze network performance and relationships within the actors of the network. The resulting data from the experiments conducted are included in this dataset.

Tags: factory-automation, graph-database, industrial-wireless, instrumentation, measurement, testbed
Organization: National Institute of Standards and Technology
CYCLE_D-HX: NIST Vapor Compression Cycle Model Accounting for Refrigerant Thermodynamic and Transport Properties Version 2.0

The CYCLE_D-HX software package simulates the performance of single-component refrigerants and refrigerant blends in subcritical vapor-compression refrigeration cycles. The basic system simulated by CYCLE_D-HX consists of a compressor, discharge line, condenser, expansion device, evaporator, compressor suction line, and an optional liquid-line/suction-line heat exchanger.  The other cycles may contain a second compressor, one or two economizers, or an intercooler. In contrast to simplified vapor compression cycle model, which require refrigerant saturation temperatures in the evaporator and condenser as input, CYCLE_D-HX establishes saturation temperatures in the heat exchangers using the temperatures profiles of heat source and heat sink and the mean effective temperature differences (?Thx) in the evaporator and condenser, respectively, which are specified as input to the program. This representation of heat exchangers facilitates the inclusion of both thermodynamic and transport properties in cycle simulations and makes CYCLE_D-HX suitable for comparative evaluations of different refrigerants, particularly when applied in systems relying on forced-convection heat transfer of refrigerant in the heat exchangers.  This software package was developed by the National Institute of Standards and Technology (NIST), is not subject to copyright protection, and is in the public domain.

Tags: air-conditioning-coefficient-of-performance-cycle-simulation-refrigerants-thermodynamic-propert
Organization: National Institute of Standards and Technology
Optimal Bayesian Experimental Design Version 1.0.1

Python module 'optbayesexpt' uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters.  Given an parametric model - analogous to a fitting function - Bayesian inference uses each measurement 'data point' to refine model parameters.  Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties.   A TCP socket interface allows the software to be used from experimental control software written in other programming languages. Code is developed in Python, and shared via GitHub's USNISTGOV organization.

Tags: bayesian, experimental-design, github-pages-template, measurement, optbayesexpt, python
Organization: National Institute of Standards and Technology
Simulated Radar Waveform and RF Dataset Generator for Incumbent Signals in the 3.5 GHz CBRS Band

This software tool generates simulated radar signals and creates RF datasets. The datasets can be used to develop and test detection algorithms by utilizing machine learning/deep learning techniques for the 3.5 GHz Citizens Broadband Radio Service (CBRS) or similar bands. In these bands, the primary users of the band are federal incumbent radar systems. The software tool generates radar waveforms and randomizes the radar waveform parameters. The pulse modulation types for the radar signals and their parameters are selected based on NTIA testing procedures for ESC certification, available at http://www.its.bldrdoc.gov/publications/3184.aspx. Furthermore, the tool mixes the waveforms with interference and packages them into one RF dataset file. The tool utilizes a graphical user interface (GUI) to simplify the selection of parameters and the mixing process.  A reference RF dataset was generated using this software. The RF dataset is published at https://doi.org/10.18434/M32116.

Tags: 3-5-ghz, cbrs, deep-learning, detection, esc, lte, machine-learning, radar, radio-frequency-signals, spectrum
Organization: National Institute of Standards and Technology
Active Evaluation Software for Selection of Ground Truth Labels

This software repository contains a python package Aegis (Active Evaluator Germane Interactive Selector) package that allows us to evaluate machine learning systems's performance (according to a metric such as accuracy) by adaptively sampling trials to label from an unlabeled test set to minimize the number of labels needed. This includes sample (public) data as well as a simulation script that tests different label-selecting strategies on already labelled test sets. This software is configured so that users can add their own data and system outputs to test evaluation.

Tags: active-evaluation, ar, machine-learning
Organization: National Institute of Standards and Technology
Calculated values of the second dielectric and refractivity virial coefficients of helium, neon, and argon.

Values of second dielectric and refractivity virial coefficients computed, with rigorous accounting for quantum effects, from state-of-the-art pair potentials and interaction polarizabilities.  Values given at 1 K intervals (finer intervals below 10 K) for helium (both mass 3 and 4 isotopes), neon (both mass 20 and 22 isotopes), and argon (mass 40 isotope).  Upper temperature limit is 2000 K in all cases. Lower temperature limit is 0.5 K for helium, 4 K for neon, 50 K for argon.
These files are Supplemental information to: G. Garberoglio and A.H. Harvey, "Path-integral Calculation of the Second Dielectric and Refractivity Virial Coefficients of Helium, Neon, and Argon," published in  J. Res. NIST , volume 125, article 125022 (2020) [https://doi.org/10.6028/jres.125.022], which describes how the values were calculated.

Tags: argon, dielectric-virials, helium, neon, pressure, refractivity-virials, thermometry
Organization: National Institute of Standards and Technology