NIST has created a Test System to measure conformance of Computer-Aided Design (CAD) software to American Society of Mechanical Engineers (ASME) standards for Product and Manufacturing Information (PMI), specifically geometric dimensioning and tolerancing (GD&T) information. The test system includes: test case definitions (2D CAD drawings with PMI), CAD models generated from the test cases, STEP files generated from the CAD models, and verification and validation reports.

description: The National Software Reference Library (NSRL) collects software from various sources and incorporates file profiles computed from this software into a Reference Data Set (RDS) of information. The RDS can be used by law enforcement, government, and industry organizations to review files on a computer by matching file profiles in the RDS. This alleviates much of the effort involved in determining which files are important as evidence on computers or file systems that have been seized as part of criminal investigations.The RDS is a collection of digital signatures of known, traceable software applications. There are application hash values in the hash set which may be considered malicious, i.e. steganography tools and hacking scripts. There are no hash values of illicit data, i.e. child abuse images.; abstract: The National Software Reference Library (NSRL) collects software from various sources and incorporates file profiles computed from this software into a Reference Data Set (RDS) of information. The RDS can be used by law enforcement, government, and industry organizations to review files on a computer by matching file profiles in the RDS. This alleviates much of the effort involved in determining which files are important as evidence on computers or file systems that have been seized as part of criminal investigations.The RDS is a collection of digital signatures of known, traceable software applications. There are application hash values in the hash set which may be considered malicious, i.e. steganography tools and hacking scripts. There are no hash values of illicit data, i.e. child abuse images.

NFIMM is a software library written in C++ and runs on all the major computer platforms, for example, linux. It updates the header metadata for BMP and PNG image files while leaving the image data unchanged.The image and the metadata to be updated is supplied by the NFIMM using-software:- Required - source image file path or bytes-stream - source image compression format - destination image sample rate - destination image sample rate units- Optional - source image sample rate and units - PNG custom text: Description, Author, Creation Time, etc.Note that the destination image compression format is constrained to be the same as the source image and therefore is not a required input parameter.NFIMM inputs the source image from the using-software either as a path to the file or as the contents of a buffer already in memory. It makes the modified image available to the user in a new buffer or provides a method for the user to save the modified image to disk.NFIMM may be used stand-alone to update an image file when the resolution information is known to be incorrect.NFIMM was developed specifically to support NFIR (NIST Fingerprint Image Resampler) executable. NFIR requires the target image resolution value to perform the resampling; this resolution value is used to update the image metadata.

The dataset consists of full-text XML files of 1,498 articles of the Journal of Research of the National Institute of Standards and Technology, published between 1959-2020. This dataset includes articles and errata updates. The filenames correspond to each publication's Pub-Med Central ID (PMCID). Folders are zipped due to size.

Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis. See more information about the full DIMSpec code base - as well as these data for demonstration purposes - at GitHub (https://github.com/usnistgov/dimspec) or view the full User Guide for DIMSpec (https://pages.nist.gov/dimspec/docs). Files of most interest contained here include the database file itself (dimspec_nist_pfas.sqlite) as well as an entity relationship diagram (ERD.png) and data dictionary (DIMSpec for PFAS_1.0.1.20230615_data_dictionary.json) to elucidate the database structure and assist in interpretation and use.

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data 'Data Exchange') format. Chemical structures are provided in the MOL-file format. The IR data originated from two sources, from the so-called 'EPA Vapor-Phase IR Library' and from NIST laboratories. The data have been sub-divided in two ways: 1) as concatenated JCAMP and SDF files (concatenated MOL-files) and 2) in individual files where each spectrum and structure is provided in a separate JCAMP and MOL file, using file names containing the CAS registry number of the compound. Important Note: All spectra were measured in the gas phase by GC/IR (gas chromatography/infrared spectroscopy), hence concentrations in the IR cell are not known or estimable. Molar absorption coefficients are not reported. This data provides only relative absorption coefficients as a function of wavelength which can be used for identification, not quantification.

ThermoML is an XML-based IUPAC standard for the storage and exchange of experimental thermophysical and thermochemical property data. The ThermoML archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 1520-5134), The Journal of Chemical Thermodynamics (ISSN: 1096-3626), Fluid Phase Equilibria (ISSN: 0378-3812), Thermochimica Acta (ISSN: 0040-6031), and International Journal of Thermophysics (ISSN: 1572-9567). Data from initial cooperation (around 2003) through the 2019 calendar year are included. The original scope of the archive has been expanded to include JSON files. The JSON files are structured according to the ThermoML.xsd (available below) and rendered from the same experimental thermophysical and thermochemical property data reported in the corresponding articles as the ThermoML files. In fact, the ThermoML files are generated from the JSON files to keep the information in sync. The JSON files may contain additional information not supported by the ThermoML schema. For example, each JSON file contains the md5 checksum on the ThermoML file (THERMOML_MD5_CHECKSUM) that may be used to validate the ThermoML download. This data.nist.gov resource provides a .tgz file download containing the JSON and ThermoML files for each version of the archive. Data from initial cooperation (around 2003) through the 2019 calendar year are provided below (ThermoML.v2020-09.30.tgz). The date of the extraction from TRC databases, as specified in the dateCit field of the xml files, are 2020-09-29 and 2020-09-30. The .tgz file contains a directory tree that maps to the DOI prefix/suffix of the entries; e.g. unzipping the .tgz file creates a directory for each of the prefixes ( 10.1007, 10.1016, and 10.1021) that contains all the .json and .xml files. The data and other information throughout this digital resource (including the website, API, JSON, and ThermoML files) have been carefully extracted from the original articles by NIST/TRC personnel. Neither the Journal publisher, nor its editors, nor NIST/TRC warrant or represent, expressly or implied, the correctness or accuracy of the content of information contained throughout this digital resource, nor its fitness for any use or for any purpose, nor can they, or will they, accept any liability or responsibility whatever for the consequences of its use or misuse by anyone. In any individual case of application, the respective user must check the correctness by consulting other relevant sources of information.

This database was distributed for use in development and testing of automated mugshot identification systems. The database consists of one zipped file, containing a total of 3,248 images of variable size using PNG format for the images and TXT format for corresponding metadata files. There are images of 1,573 individuals (cases) 1,495 male and 78 female. The database contains both front and side (profile) views when available. Separating front views and profiles, there are 131 cases with two or more front views and 1,418 with only one front view. Profiles have 89 cases with two or more profiles and 1,268 with only one profile. Cases with both fronts and profiles have 89 cases with two or more of both fronts and profiles, 27 with two or more fronts and one profile, and 1,217 with only one front and one profile.

3D Solid Model of NIST Nanocalorimeter created in Solidworks 2019. The files include an assembly of three layers represented as part files - the silicon die layer, the silicon nitride membrane layer and the platinum metal layer. Please cite the related paper "Practical Guide to the Design, Fabrication and Calibration of NIST Nanocalorimeters" by Feng Yi, Michael D. Grapes, and David A. LaVan in the Journal of Research of the National Institute of Standards and Technology, Volume 124 (in press).

The data files are a compilation of experimental results referenced in NIST Technical Note 1947 and include tabulated summary smoke alarm response results for smoke box and room experiments and individual experiment data files containing smoke beam obscuration, MIC current, gas species concentration, temperature and relative humidity measurements as a function of time during each experiment. Descriptions of the file name structures, data file contents and uncertainty estimates for each reported measurand are provided on the data landing page.

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++.

SciData Framework JSON-LD conversion of the PureOrMixtureData datasets from file 'https://trc.nist.gov/ThermoML/10.1007/s10765-008-0390-4.html', derived from paper doi:10.1007/s10765-008-0390-4.

This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. Users are encouraged to download and use interatomic potentials, with proper acknowledgement, and developers are welcome to contribute potentials for inclusion. The files provided have been submitted or vetted by their developers and appropriate references are provided. All classes of potentials (e.g., MEAM, ADP, COMB, Reax, EAM, etc.) and materials are welcome. Interatomic potentials and/or related files are currently available for various metals, semiconductors, oxides, and carbon-containing systems.

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.

Conventional molecular dynamics (MD) simulations using the GPU-enabled CUDA version of the pmemd executable (pmemd.cuda) in AMBER were applied to explore the structure and dymanics of MAPK, ERK2. The role of dual phosphorylation was explored by comparing 0P-ERK2 with 2P-ERK2 (two phosphate groups added at T183 and Y185). Both 0P-ERK2 and 2P-ERK2 models were treated with the ff19SB forcefield immersed in a solution of 0.15 M NaCl in OPC water. The results showed that the A-loop can adopt multiple long-lived (>5 microseconds) conformational states. A set of primary and secondary seeds were used to explore these novel states of the activation loop. Analysis scripts, dataframes, and all trajectories (stripped of explicit water and NaCl ions) are provided here to enhance reproducibility of this complex study and aid future studies. Trajectories As described in the associated publication, individual trajectories were run for (5-25) microseconds and totaled 727 microseconds. Multiple primary seeds (285 K, 300 K, 315 K, and 330 K) and secondary trajectory seeds (300 K) were run; all are available in this data publication. All frames for each trajectory were aligned to backbone atoms of residues 10-161 and 182-343 of the minimized 2ERK X-ray structures (0P and 2P). Modeled residue numbers are 1-353 and correspond to residues 6-358 of 2ERK and 5UMO (rat sequence numbering). The model built from 2Y9Q, which is a human kinase, was converted to correspond to the rat derived models (2ERK, 5UMO) as described in the associated publication. Most primary seeds are greater than 10 microseconds while most secondary seeds are 5.7 microseconds. Angstrom units (0.1 nm) are used for trajectory coordinate storage and analysis. Three sets of trajectories are provided for convenience: 1. The canonical set of trajectories are netcdf files (extension .nc) that are stripped of NaCl and water molecules and down-sampled to 2.5 ns between frames. 2. The set of trajectory seeds with hydrogens removed and further down-sampling to 250 ns between frames is provided as DCD trajectory files. This is the smallest download that will be most convenient for visualization and initial development. 3. Frames from the 300 K trajectories collated by the A-loop states. These trajectories should be treated as collections of frames without regard for any time information stored. Structures from RCSB.org The associated publication analyzed the crystal packing environment of the activation loop. The structural data were collected in November 2021. All pdb files downloaded at that time are included in this data publication to aid the reproducibility of the analysis. The RCSB (Research Collaboratory for Structural Bioinformatics, https://www.rcsb.org) was the source of information and should be used directly for current versions of the associated entries. The RCSB entries pdbid 2ERK, pdbid 5UMO, and pdbid 2Y9Q were the structures used to build initial models for MD simulations. Scripts Representative scripts are provided to aid future work. See README.md Units Q-Aloop values are fractions. RMSD, distances, and coordinates are all reported in Angstroms (0.1 nm). Angles are reported in degrees. Acknowledgment Most of the scripts included here were designed in collaboration with Laurel Pegram while she was in the Natalie Ahn group at CU-Boulder. NOTE: Trade names are provided only to specify the source of information and procedures adequately and do not imply endorsement by the National Institute of Standards and Technology. Similar products by other developers may be found to work as well or better.

A collection of full-text documents from various sources including the Financial Times Limited (1991, 1992, 1993, 1994), the Congressional Record of the 103rd Congress (1993), the Federal Register (1994), the Foreign Broadcast Information Service (1996), and the Los Angeles Times (1989, 1990). These documents are the document set for several TREC information retrieval test collections. (Data contains document text only.)

This repository contains the dataset used in the manuscript "Inter-tool analysis of a NIST dataset for assessing baseline nucleic acid sequence screening". NIST constructed the test dataset based on the current screening recommendations from HHS. The dataset is a FASTA formatted file with blinded numerical sequence headers. The dataset was sent to sequence screening tool developers for initial testing and to obtain feedback about its utility for assessing baseline sequence screening. An additional metadata file provides the NIST-assigned label for each sequence, along with a more detailed description derived from the source database.

This dataset includes files from the experiment titled 'OverhangPartX4' pertaining to a three-dimensional (3D) additive manufacturing (AM) build performed on the Additive Manufacturing Metrology Testbed (AMMT) by Ho Yeung and Brandon Lane on June 28, 2019. The files include the input command files, materials data, in-situ process monitoring data, and metadata. This data is one of a set of 'AMMT Process Monitoring Datasets', as part of the Metrology for Real-Time Monitoring of Additive Manufacturing project at the National Institute of Standards and Technology (NIST). Ex-situ part characterization data, including X-ray computed tomography measurements, will be provided as they are made available. Readers should refer to the AMMT datasets web page for updates (https://www.nist.gov/el/ammt-temps/datasets).

The IUPAC Solubility Data Series Volumes 1-103 (1979 to 2014) are made available online. Volumes 1-19 and 39-65 are available as scanned and OCR'd single PDF files. Volumes 20-38 are available with each volume indexed and sectioned into multiple PDF files that can browsed using an online table of contents. Volumes 66-103 are available through links to the document at the Journal of Physical and Chemical Reference Data. The electronic part of the database contains 67,500 solubility measurements, compiled from 18 volumes of the IUPAC Solubility Data Series. There are about 1800 chemical substances in the database and 5200 systems, of which 473 have been critically evaluated. The database has over 1800 references.

Automated particle analysis (SEM/EDS) data from samples known to have been exposed to gunshot residue and from samples occasionally mistaken for gunshot residue - like brake dust and fireworks. The dataset consists of analyses of 30 discrete samples: 12 from sampling automobiles ("brake dust"), 10 from sampling fireworks ("sparklers" and "spinners" and "roman candles"), 8 from shooter's left or right hands. The analysis configuration meta-data for each analysis are contained in the "configuration.txt" and "script.py" files. The raw data from each analysis is in the file pair "data.pxz" and "data.hdz". The HDZ-file details the contents of the PXZ-file. In addition, the "mag0" directory contains TIFF images with embedded X-ray spectra for each particle in the dataset. Additional HDZ/PXZ files contain the results of reprocessing the "data.hdz/.pxz" in light of the "mag0" spectra and the standard spectra in "25 keV.zip" The samples came from Amy Reynolds (amy.reynolds@pd.boston.gov) at the Boston Police Department. The "Shooter" samples were taken from a volunteer who fired a gun at a local firing range and was then sampled immediately after. They are part of a time series that was used to study GSR retention. The TIFF Image/Spectrum files can be read using NIST DTSA-II (https://www.nist.gov/services-resources/software/nist-dtsa-ii) or NeXLSpectrum.jl (https://doi.org/10.18434/M32286). The HDZ/PXZ files can be read using NIST Graf (available on request) or NeXLParticle.jl (https://github.com/usnistgov/NeXLParticle.jl).