The NIST Chemistry WebBook provides users with easy access to chemical and physical property data for chemical species through the internet. The data provided in the site are from collections maintained by the NIST Standard Reference Data Program and outside contributors. Data in the WebBook system are organized by chemical species. The WebBook system allows users to search for chemical species by various means. Once the desired species has been identified, the system will display data for the species. Data include thermochemical properties of species and reactions, thermophysical properties of species, and optical, electronic and mass spectra.

Special Database 19 contains NIST's entire corpus of training materials for handprinted document and character recognition. It publishes Handprinted Sample Forms from 3600 writers, 810,000 character images isolated from their forms, ground truth classifications for those images, reference forms for further data collection, and software utilities for image management and handling. there are two editions of the databases. One is the original database with the images in mis or pct format. It also includes software to open and manipulate the data. The second edition has the images all in PNG format.

Materials discovery and development necessarily begins with the preparation and identification of product phase(s). Crystalline compounds can be identified by their characteristic diffraction patterns using X-rays, neutrons, and or electrons. An estimated 20,000 X-ray diffractometers and a comparable number of electron microscopes are used daily in materials research and development laboratories for this purpose. Access to crystal structure data is a critical step in solving research and applications problems in materials researches, and these data are of interest to analysts in areas such as materials design, property prediction and compound identification. NIST Crystallographic Data Center, in collaboration with partners all over the world, evaluates and disseminates chemical, physical and crystallographic information published on these materials. NIST Standard Reference Database 3: NIST Inorganic Crystal Structure Database (NIST ICSD) is a comprehensive collection of crystal structure data of nonorganic compounds (including inorganics, ceramics, minerals, pure elements, metals, and intermetallic systems) containing over 210,000 entries and covering the literature from 1913. NIST ICSD includes entries that fall into the following categories: full structure data from experimental refinement or derived from their iso-structural structure types, theoretically predicted structures from computer simulations, as well as partially characterized structures. The NIST ICSD web application provides materials researchers with a user-friendly interface to search the database based on bibliographic information, chemistry, unit cell, space group, experimental settings, mineral name/group and other derived data from expert evaluation. In addition, it also provides users with functions to easily create and examine results from various crystallographic computations, such as reduced cell, bond distance/angle, calculated powder diffraction data, and structure standardization.

The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF). For users on Windows operating systems, the .SDF format library can be converted to NIST MS Search format using Lib2NIST and then explored using NIST MS Search v2.4 for general mass spectral analysis. These software tools can be downloaded at https://chemdata.nist.gov. The database is now (09-28-2021) also provided in R data format (.RDS) for use with the R programming language. This database, also commonly referred to as a library, is one in a series of high-quality mass spectral libraries/databases produced by NIST (see NIST SRD 1a, https://dx.doi.org/10.18434/T4H594).

This database contains benchmark results for simulation of plasma population kinetics and emission spectra. The data were contributed by the participants of the 4th Non-LTE Code Comparison Workshop who have unrestricted access to the database. The only limitation for other users is in hidden labeling of the output results. Guest users can proceed to the database entry page without entering userid and password.

The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are to provide a benchmark set of experimental data for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of gas-phase thermochemical properties. The data files linked to this record are a subset of the experimental data present in the CCCBDB.

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 version of NIST Standard Reference Database 46 is a major enhancement to this widely used database which provides comprehensive coverage of interactions for aqueous systems of organic and inorganic ligands with protons and various metal ions and is based on the six-volume Critical Stability Constants by Martell and Smith. The new version contains 225 additional ligands, new data, data printing, rapid bibliography searching and more streamlined commands. New literature has resulted in revision and upgrading of 30% of previous data. Entire contents are critically selected for accuracy and consistency.

This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The Atomic Spectroscopy Data Center has carried out these critical compilations. The Data Center is located in the Physical Measurement Laboratory at the National Institute of Standards and Technology (NIST).

Contains all CVE, CPE and CWE records from the National Vulnerability Database as of 5/29/2025. The NVD is the U.S. government repository of standards based vulnerability management data represented using the Security Content Automation Protocol (SCAP). This data enables automation of vulnerability management, security measurement, and compliance. The NVD includes databases of security checklist references, security related software flaws, product names, and impact metrics. Originally created in 1999 (called Internet - Categorization of Attacks Toolkit or ICAT), the NVD has undergone multiple iterations and improvements and will continue to do so to deliver its services. The NVD is a product of the NIST Computer Security Division, Information Technology Laboratory. The NVD performs enrichment on CVEs that have been published to the CVE List. NVD staff are tasked with enrichment of CVEs by aggregating data points from the description, references supplied and any supplemental data that c

Direct Analysis in Real Time Mass Spectrometry (DART-MS) is an analytical chemistry technology that is being increasingly employed in forensic applications. This form of mass spectrometry rapidly yields rich structural information about an analyte with minimal sample preparation. The challenge with DART-MS data, much like other data generated with high throughput technologies, lies in the data interpretation. This is especially true when the analyzed samples are multi-component mixtures like seized drug evidence. The NIST/NIJ DART-MS Data Interpretation Tool (DIT) is a freely available and open-source software tool developed to support the interpretation of in-source collision induced dissociation (is-CID) DART-MS data. The NIST/NIJ DART-MS DIT can be used to view reference mass spectra from DART-MS spectral libraries, search query DART-MS mass spectra of mixtures against reference libraries, using the Inverted Library Search Algorithm, and generate printable reports from search results. Several of the features, including the formatting of generated reports, were iteratively designed with input from local, state, and federal forensic practitioners, ensuring that the program is intuitive and usable for the expected users.

The NDRL/NIST Solution Kinetics Database contains data on rate constants for solution-phase chemical reactions. The database is designed to be searched by reactants, products, solvents, or any combination of these. In addition, the bibliography may be searched by author name, title words, journal, page(s), and/or year. This is not the same database as the one at Notre Dame, although both databases share a common data source.

This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 6000 references, dating from 1889 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts.

The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000. Rate constant records for a specified reaction are found by searching the Reaction Database. All rate constant records for that reaction are returned, with a link to 'Details' on that record. Each rate constant record contains the following information (as available): a) Reactants and, if defined, reaction products; b) Rate parameters: A, n, Ea/R, where k = A (T/298)*n exp[-(Ea/R)/T], where T is the temperature in Kelvins; c) Uncertainty in A, n, and Ea/R, if reported; d) Temperature range of experiment or temperature range of validity of a review or theoretical paper; e) Pressure range and bulk gas of the experiment; f) Data type of the record (i.e., experimental, relative rate measurement, theoretical calculation, modeling result, etc.). If the result is a relative rate measurement, then the reaction to which the rate is relative is also given; g) Experimental procedure, including separate fields for the description of the apparatus, the time resolution of the experiment, and the excitation technique. A majority of contemporary chemical kinetics methods are represented. The Kinetics Database is being expanded to include other resources for the convenience of the users. Presently this includes direct links to the corresponding NIST WebBook page for all substances for which such a link is possible. This is indicated by underling and highlighting the species. The WebBook provides thermodynamic, spectral, and other data on the species. Note that the link to the WebBook is opened as a new frame in your browser.

The NIST database of fingerprint images contains 2000 8-bit gray scale fingerprint image pairs. Each image is 512-by-512 pixels with 32 rows of white space at the bottom and classified using one of the five following classes:

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.

GC-MS Database NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST 08) + update 2010 2.0f Apr 1 2009 x86 [2008, ENG] This library package contains the NIST 2008 Mass Spectral Library in the following manufacturer formats: 1. Agilent Chemstation (.L) (with structures) 2. NIST MS Search (compatible with most mass spectrometry software brands): Bruker; JEOL; LECO; PerkinElmer TurboMass; Thermo Electron XCalibur; Varian MS Workstation; Waters MassLynx; and other brands 3. PerkinElmer TurboMass (IDB) (with structures) 4. Shimadzu GCMS Solution (QP5000) (SPC) (no structures) 5. Waters MassLynx (IDB) (with structures) 6. Finnigan GCQ/Varian ITS-40 7. Thermo Galactic Spectral ID Includes: - Over 220,000 spectra, - Over 190,000 chemical structures, and - GC Retention Index Library, MS/MS Library - Licenses keys

This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 8000 references, dating from 1914 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, comments, and reviews on atomic transition probabilities, oscillator strengths, line strengths, and radiative lifetimes.

The documents in this database are 12 different tax forms from the IRS 1040 Package X for the year 1988. These include Forms 1040, 2106, 2441, 4562, and 6251 together with Schedules A, B, C, D, E, F, and SE. Eight of these forms contain two pages or form faces; therefore, there are 20 different form faces represented in the database. The document images in this database appear to be real forms prepared by individuals, but the images have been automatically derived and synthesized using a computer.

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.