AndreaBozzo/ceres-open-data-index huggingface dataset:
Computer Code for Industrial Wireless Measurement Analysis and Scenario Generation

This repository contains code for analyzing industrial wireless sounder measurements and the generation of wireless scenarios. DISCLAIMER: Certain commercial equipment, instruments, or materials are identified in the associated paper (https://doi.org/10.6028/nist.tn.1951) in order to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by NIST, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.

Tags: industrial-wireless, measurement-analysis, radio-frequency-propagation, wireless-sensor-networks
Organization: National Institute of Standards and Technology
Mass spectra of sulfonephthalein pH indicator dyes and their impurities

Sulfonephthalein pH indicator dyes have historically been noted for impurities originating from the synthesis process which lead to batch to batch differences in pH measurements. Uncertainties up to 0.1 pH units have been attributed to impurities in these reagents. In an effort to understand the extent of impurities in these dyes and the potential impact on the expanded uncertainty of pH measured by this technique, we have examined seven commercially available sulfonephthalein pH indicators using liquid chromatography-mass spectrometry (LC-MS): bromocresol green (BCG), bromocresol purple (BCP), bromothymol blue (BTB), cresol red (CR), meta-cresol purple (MCP), phenol red (PR), and thymol blue (TB). Peaks eluting from the LC (Figure 1) were subjected to fragmentation by mass spectrometry. The resulting dataset will aid in efforts to improve the synthesis or purification of these dyes.

Tags: mass-spectrometry, ph-indicators, seawater-ph
Organization: National Institute of Standards and Technology
Computer Code for Tennesse Eastman Industrial Wireless Systems Performance Evaluation

This computer code contains the Tennessee Eastman (TESIM) chemical process model to be simulated using hardware-based simulation approaches. The code is optimized for wireless system integration as a part of the NIST Industrial Wireless project.  This code allows for integration with external sensor and actuator equipment and the evaluation of operational performance under different wireless scenarios.  Disclaimer: Certain commercial equipment, instruments, or materials are identified in this paper in order to specify the experimental procedure adequately.  Such identification is not intended to imply recommendation or endorsement by NIST, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.

Tags: chemical-process-simulation, cyber-security-performance-evaluation, factory-operations, factory-simulation, industrial-control-systems, wireless-performance-evaluation
Organization: National Institute of Standards and Technology
DICOM files for "RECIST and Volumetric CT Measurements of Injected-Water Phantoms" by ZH Levine, HH Chen-Mayer, AP Peskin, and AL Pintar.

DICOM files are given for 11 CT scans which were used in a research article.  Each scan contains about 1250 slices with 512x512 gray scale images, each in its own directory.  The low number slices contain the diapers in the order D5 ... D1, then the vials of powder are contained in the order V11 ... V2.   The symbols correspond to the injected masses which are given in the paper and which are repeated here in a file called "mass.txt".   There is also a file "README.txt" which describes the directory structure.

Tags: x-ray-computed-tomography-medical-phantom-hounsfield-unit-volume-shape
Organization: National Institute of Standards and Technology
Digital Manufacturing Certificate Toolkit

The NIST Digital Manufacturing Certificate (DMC) Toolkit is a toolkit designed specifically to provide certification -- digital signature using software and hardware certificates, and verification -- of manufacturing related product data. In its first release, the DMC toolkit supports signature and validation of data in the following formats: ISO 10303-21 (STEP), ISO 6983 (G-code), ISO 32000 (PDF) and 14739 (PRC, aka 3D PDF), and Quality Information Framework (QIF). The software offers both the Toolkit as a C# API and a fully-functional demonstration application. A use case and detailed description of the technology is available in an article titled, "Embedding X.509 Digital Certificates in Three-Dimensional Models for Authentication, Authorization, and Traceability of Product Data," published in the Journal of Computing and Information Science in Engineering (doi:10.1115/1.4034131)

Tags: authentication, authorization, model-based-enterprise-mbe, product-data-quality-pdq, trustworthiness
Organization: National Institute of Standards and Technology
Radio Frequency Measurements for Selected Manufacturing and Industrial Environments

Radio Frequency Measurements for Selected Manufacturing and Industrial Environments using a PN Code Sounding methodology.  The resulting measurements include complex impulse responses and spectrum analysis traces.  Complex impulse responses were validated using both ray tracing and an outdoor two-ray reference facility.  This data is meant to serve as a reference of how radio waves at 2.4 GHz and 5 GHz propagate in industrial environments.

Tags: manufacturing, propagation, wireless
Organization: National Institute of Standards and Technology
Raw data files that were used in writing "Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures" by Kelly H. Telu, Xinjian Yan, William E. Wallace, Stephen E. Stein and Yamil Simón-Manso, Published paper: DOI: 10.1002/rcm.7475

Liquid-chromatography-mass spectrometry (LC-MS) raw data sets from various instruments delivered in their native instrument format.  31 files in all.  7.5 GB data.

Tags: human-blood-plasma, liquid-chromatography, mass-spectrometry, metabolomics, srm-1950
Organization: National Institute of Standards and Technology
Supplementary material for: The detection of carbon dioxide leaks using quasi-tomographic laser absorption spectroscopy measurements in variable wind

The data is for the companion paper:  ZH Levine et al., The detection of carbon dioxide leaks using quasi-tomographic laser absorption spectroscopy, Atmospheric Measurement Techniques, in press (to appear 2016). The data include measurements carbon dioxide in the atmosphere in a field in Ft. Wayne, Indiana as well as simulations of such measurements.

Tags: carbon-sequestration, laser-absorption-spectroscopy
Organization: National Institute of Standards and Technology
Recommended Gas Phase Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species

Datasets in digital electronic formats are provided for data contained in the publication "Recommended Values for the Gas Phase Enthalpies of Formation of Hydrogen-Oxygen Species;" J. Res. Natl. Inst. Stand. Technol. 121, 108-138 (2016); DOI: 10.6028/jres.121.005. In this work, we compiled gas phase enthalpies of formation for nine hydrogen-oxygen species (HxOy) and selected values for use. The compilation consists of values derived from experimental measurements, quantum chemical calculations, and evaluations. This work updates the recommended values in the NIST-JANAF (1985) and Gurvich et al (1989) thermochemical tables for seven species. For two species, HO3 and H2O3 (important in atmospheric chemistry) and not found in prior thermochemical evaluations, we also provide tables of thermochemical functions (Cp, S°, H°, and ?fH°) as a function of temperature. In this work, we also provide supplementary data for the species consisting of zero point energies, vibrational frequencies, and ion reaction energetics.

Tags: ab-initio-thermochemistry-atomization-energies-bond-dissociation-energies-enthalpy-of-formation, critical-evaluation, data-compiliation, standard-reference-data, thermochemical-database
Organization: National Institute of Standards and Technology
NIST Internet Time Service

Distributes NIST estimate of official U.S. time over the Internet in real time, using Network Time Protocol (NTP) and other time data formats to automatically synchronize clocks in computers and network devices to official U.S. time as realized by NIST several billions of times per day. This official U.S. time is the NIST estimate of Coordinated Universal Time (UTC), and called UTC(NIST). The accuracy of UTC(NIST) as distributed through the Internet Time Service (ITS) is on the order of 0.001 seconds (one millisecond), although accuracy can vary depending on network conditions and other parameters. Note that unlike most traditional datasets, time is intrinsically a transient, ever-changing quantity. As soon as UTC(NIST) is transmitted to a client, that particular value of UTC(NIST) no longer reflects the current time, which is constantly changing. There is thus no static storage of any time data, apart from internal diagnostic information not released to the public which ensures that UTC(NIST) as disseminated through the Internet Time Service (ITS) is commensurate with the official UTC(NIST) realization within the uncertainties of the system. The vast majority of UTC(NIST) information distributed through ITS is provided freely, anonymously and automatically to the public. Any IP address can request UTC(NIST) through the ITS and the information is automatically and anonymously provided at no cost to the user. Full documentation of the ITS including all the source code is available to the public through the web site http://www.nist.gov/pml/div688/.NIST provides an authenticated version of ITS to a limited number of users (approximately 500 users near the end of calendar year 2015) who for various reasons want to ensure they are receiving UTC(NIST) without spoofing or interference with the information. This service uses public key encryption for the set of registered users to provide authenticated UTC(NIST).

Tags: coordinated-universal-time, internet, internet-time-service, time, utc
Organization: National Institute of Standards and Technology
NIST Center for Neutron Research raw data archive

Neutron scattering data from NCNR's thermal and cold neutron scattering instruments.

Tags: neutron-diffraction, neutron-interferometry, neutron-reflectometry, neutron-research, neutron-scattering, neutron-spin-echo, polarized-neutrons, small-angle-neutron-scattering
Organization: National Institute of Standards and Technology
NIST SAMATE Software Assurance Reference Dataset

This dataset provides the NIST Software Assurance Metrics And Tool Evaluation (SAMATE) Software Assurance Reference Dataset (SARD) - a set of programs with known security flaws. This will allow end users to evaluate tools and tool developers to test their methods.

Tags: bug, defect, flaw, security, software-assurance, software-testing, static-analysis, test-suite, vulnerability, weakness
Organization: National Institute of Standards and Technology
NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials

The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters. The database also contains adsorption isotherms digitized from the cataloged articles, which can be compared visually online in the web application or exported for offline analysis.

Tags: adsorbate, adsorbent, adsorption, advanced-materials, energy, environment-and-climate, isotherm, manufacturing, metal-organic-framework, porous-material, surface-science
Organization: National Institute of Standards and Technology
NIST Libraries of Peptide Fragmentation Mass Spectra Database - SRD 1c

NIST peptide libraries are comprehensive, annotated mass spectral reference collections from various organisms and proteins useful for the rapid matching and identification of acquired MS/MS spectra. Spectra were produced by tandem mass spectrometers using liquid chromatographic separations followed by electrospray ionization. Unlike the NIST small molecule electron ionization library which contains one spectrum per molecular structure, there are several different modes of fragmentation (ion trap and ?beam-type? collision cells are currently the most commonly used fragmentation devices) that result in spectra with different, energy dependent, patterns. These result in multiple spectral libraries, distinguished by ionization mode, each of which may contain several spectra per peptide. Different libraries have also been assembled for iTRAQ-4 derivatized peptides and for phosphorylated peptides. Separating libraries by animal species reduces search time, although investigators may elect to include several species in their searches.

Tags: lc-ms, mass-spectroscopy, peptides, proteomics
Organization: National Institute of Standards and Technology
NIST Polycyclic Aromatic Hydrocarbon Structure Index - SRD 204

This website was designed to serve two purposes:   1) serve as a modern replacement for the original web site serving the content of NIST Special Publication 922: Polycyclic Aromatic Hydrocarbon Structure Index   2) serve thermochemical data derived in the publication 'First Principles Prediction of Enthalpies of Formation for Polycyclic Aromatic Hydrocarbons and Derivatives,' Thomas C. Allison and Donald R. Burgess Jr., manuscript in preparation.  Using procedures fully described in the publication referenced above, the enthalpy of formation has been derived and is available on this website in the temperature range 0 - 6000 K. These data are computed from the results of an energy-extrapolated B3LYP/cc-pVDZ optimization and frequency calculation. The enthalpy of formation is computed within the ideal gas, rigid rotor, harmonic oscillator approximation, and an empirical correction based on a chemical group scheme is applied. Please see the literature citation for details.

Tags: polycyclic-aromatic-hydrocarbons-pahs-thermochemistry-chemical-structures
Organization: National Institute of Standards and Technology
NIST Standard Reference Simulation Website - SRD 173

The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various simulation techniques. The data include raw canonical potential energy, macrostate probability distributions, metadata explaining the simulation parameters and constraints, and thermophysical properties generated by processing the raw simulation output, including pressure, phase coexistence properties, self-diffusivity, and excess entropy. Thermodynamic properties and reference energy calculations are given on the website in tabular form. Data are generated from well-proven molecular simulation software with repeated simulation runs to prove repeatability and provide error estimates so that the data can serve as Standard Reference Data (http://www.nist.gov/srd/upload/SRDAct-2.pdf).

Tags: ewald, lennard-jones, molecular-dynamics, molecular-simulation, monte-carlo, spc, statistical-mechanics, thermophysical-properties, trappe, united-atom
Organization: National Institute of Standards and Technology
ThermoLit: NIST Literature Report Builder for Thermophysical and Thermochemical Property Measurements

This web application provides free and open access to literature information contained in the NIST SOURCE Data Archive, and provides an easy-to-use tool for generation of a NIST Literature Report in PDF format, as required by the Journals. The tool is intended to aid researchers and reviewers in determining relevant literature sources for a given experimental measurement; however, it is not intended to replace the comprehensive literature review required by all journals, and no guarantee is made regarding completeness of the information provided. For an analysis of the comparative impact a particular measurement may have, the ThermoPlan: Experimental Planning and Coverage Evaluation Aid for Thermophysical Property Measurements web tool (http://trc.nist.gov/thermoplan/) is recommended.

Tags: automated-character-recognition, automated-image-recognition, character-recognition, characters, complex-document-recognition, ocr, printed-characters, software-recognition, technical-document-images
Organization: National Institute of Standards and Technology
NIST Statistical Reference Datasets - SRD 140

The purpose of this project is to improve the accuracy of statistical software by providing reference datasets with certified computational results that enable the objective evaluation of statistical software.   Currently datasets and certified values are provided for assessing the accuracy of software for univariate statistics, linear regression, nonlinear regression, and analysis of variance. The collection includes both generated and 'real-world' data of varying levels of difficulty. Generated datasets are designed to challenge specific computations. These include the classic Wampler datasets for testing linear regression algorithms and the Simon & Lesage datasets for testing analysis of variance algorithms. Real-world data include challenging datasets such as the Longley data for linear regression, and more benign datasets such as the Daniel & Wood data for nonlinear regression. Certified values are 'best-available' solutions. The certification procedure is described in the web pages for each statistical method.   Datasets are ordered by level of difficulty (lower, average, and higher). Strictly speaking the level of difficulty of a dataset depends on the algorithm. These levels are merely provided as rough guidance for the user. Producing correct results on all datasets of higher difficulty does not imply that your software will pass all datasets of average or even lower difficulty. Similarly, producing correct results for all datasets in this collection does not imply that your software will do the same for your particular dataset. It will, however, provide some degree of assurance, in the sense that your package provides correct results for datasets known to yield incorrect results for some software.   The Statistical Reference Datasets is also supported by the Standard Reference Data Program.

Tags: algorithms, anovas, averages, bayes-theorems, bayesian, bayesian-computations, bayesian-statistics, benchmark-data, benchmarks, computational-accuracies, least-squares, linear-regressions, mcmc, nonlinear-regressions, numerical-accuracies, numerical-analysis, round-off, rounding-errors, roundings, software-evaluations, standard-deviations, statistical-reference-datasets, statistical-software, summary-statistics, variance-analysis
Organization: National Institute of Standards and Technology
Object-Oriented Micromagnetics Modeling Framework (OOMMF)

Extensible, public domain software for modeling magnetic behavior of ferromagnetic materials at nanometer resolution.  Source code, in C++ and Tcl/Tk, is included.

Tags: energy-minimization, finite-difference, landau-lifshitz-gilbert, micromagnetic-modeling, nanomagnetics, simulation, stray-field
Organization: National Institute of Standards and Technology
SRM 2193a Calcium Carbonate pH Standard [used as saturated Ca(OH)2 solution]

SRM 2193a Calcium Carbonate pH Standard [used as saturated Ca(OH)2 solution] - This Standard Reference Material (SRM) is intended for use in preparing solutions for calibrating electrodes for pH measuring systems at pH values above 11.0. This lot of calcium carbonate (CaCO3) was selected for its low level of alkali metal impurities. However, this SRM is certified ONLY as a pH standard, NOT as a pure substance. A unit of SRM 2193a consists of 30 g of CaCO3. This data is public in the Certificate of Analysis for this material.

Tags: biosciences-and-health, environment-and-climate, food-and-nutrition
Organization: National Institute of Standards and Technology
Macroscale Compression at Different Temperatures and Orientations (CHAL-AMB2022-04-MaCTO)

This challenge is to predict the macroscopic stress-strain response of compression samples across a range of temperatures taken from the base leg of the IN625 AMB2018-01 build in both the build direction (Z-axis) and a transverse-build direction (Y-axis). The specific temperatures of interest are 298 K, 523 K, and 773 K. The calibration data provided in this dataset corresponds to the build direction compression tests done at 298 K and 773 K.

Tags: additive-manufacturing, am-bench, benchmark, mechanical-characterization, metal
Organization: National Institute of Standards and Technology
Universal Cyber-Physical Systems Environment for Federation (UCEF)

Internet of Things (IoT) is comprised of interacting networks of physical, computational, and human components that coordinate to fulfill time-sensitive functions in their environment. The development of these systems spans all industrial sectors and demands collaborative effort between research and development teams from multiple institutions. Realizing the full potential of IoT requires interoperability between heterogeneous systems and development processes supported by robust platforms for experimentation and testing across domains. Meanwhile, current design and management approaches for these systems are domain-specific and would benefit from a more universally applicable approach.The National Institute of Standards and Technology (NIST) and its partner, the Institute for Software Integrated Systems at Vanderbilt University, have developed a collaborative experiment development environment that integrates best-of-breed tools including programming languages, network simulators, simulation platforms, hardware in the loop, and others. This environment integrates these tools into a standardized communications protocol, IEEE Standard 1516 High Level Architecture (HLA), and provides a graphical modeling language where simulators can easily be configured into different experimental configurations. Its code generation capabilities transform these simple models into executable simulations and code pre-configured to communicate using the standardized HLA services. This environment is called the Universal CPS Environment for Federation (UCEF). UCEF is distributed as a portable, self-contained Ubuntu Virtual Machine which allows it to run on any computational platform.

Tags: co-simulation, cyber-physical-systems, high-level-architecture, internet-of-things, modeling-and-simulation, tool-integration
Organization: National Institute of Standards and Technology