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).

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).

These four data files contain datasets from an interlaboratory comparison that characterized a polydisperse five-population bead dispersion in water. A more detailed version of this description is available in the ReadMe file (PdP-ILC_datasets_ReadMe_v1.txt), which also includes definitions of abbreviations used in the data files. Paired samples were evaluated, so the datasets are organized as pairs associated with a randomly assigned laboratory number.

Data set from peer-reviewed publication: A. J. Fleisher et al., Absolute 13C/12C Isotope Amount Ratio for Vienna Pee Dee Belemnite from Infrared Absorption Spectroscopy, Nature Physics. Measurements of isotope ratios are predominantly made with reference to standard specimens that have been characterized in the past. In the 1950s, the carbon isotope ratio was referenced to a belemnite sample collected by Heinz Lowenstam and Harold Urey in South Carolina?s Pee Dee region.

The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology (NIST). Components and devices used in a broad spectrum of technology sectors such as health care, communications, energy and electronics are manufactured from crystalline materials; the development of advanced crystalline materials requires accurate crystal-structure data.

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.

Interlaboratory data from assessments of SRMs and other method comparison samples

SRM 1941b Organics in Marine Sediment - This Standard Reference Material (SRM) is marine sediment collected at the mouth of the Baltimore (MD) Harbor. SRM 1941b is intended for use in evaluating analytical methods for the determination of selected polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyl (PCB) congeners, and chlorinated pesticides in marine sediment and similar matrices. Information values are also provided for total organic carbon (TOC), total carbon, hydrogen, and nitrogen.

SRM 1944 New York/New Jersey Waterway Sediment - Standard Reference Material (SRM) 1944 is a mixture of marine sediment collected near urban areas in New York and New Jersey. SRM 1944 is intended for use in evaluating analytical methods for the determination of selected polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, and trace elements in marine sediment and similar matrices.

SRM 1945 Organics in Whale Blubber - This Standard Reference Material (SRM) is a frozen whale blubber homogenate intended for use in evaluating analytical methods for the determination of selected polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, polybrominated diphenyl ether (PBDE) congeners, and toxaphene congeners. SRM 1945 has been reanalyzed, and the current Certificate of Analysis has values assigned for additional PCB congeners and pesticides, as well as values assigned for selected PBDE and toxaphene congeners.