U.S. flag

An official website of the United States government

Dot gov

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Https

Secure .gov websites use HTTPS
A lock () or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

  1. Home

Dataset Search

Search results

30 results found

Supplemental Data and Source Code for ILSA Research

Data provided by  National Institute of Standards and Technology

Source code associated with the Inverted Library Search Algorithm (ILSA) for identifying mixture components using is-CID mass spectra. This source code is frozen to accompany the manuscript titled "Updates to the Inverted Library Search Algorithm for mixture analysis" by Moorthy et. al.

Tags: mass spectrometry,Mixture Analysis,Search Algorithms,seized drug analysis,

Modified: 2022-07-29

Views: 0

Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data

Data provided by  National Institute of Standards and Technology

Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an R Markdown script to reproduce the manuscript's figures.

Tags: mass spectrometry,uncertainty analysis,per- and polyfluoroalkyl substances,PFAS,reference mass spectrum,

Modified: 2022-07-29

Views: 0

NIST DART-MS Forensics Database (is-CID)

Data provided by  National Institute of Standards and Technology

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).

Tags: Standard reference data,mass spectra,Ion Fragmentation,mass spectrometry,NIST Mass Spectral Libraries,Chemical Identification,Biosciences and Health,Security and Forensics,

Modified: 2022-07-29

Views: 0

Calculated Diffusivities for Water Isotopologues in Carbon Dioxide, Nitrogen, and the Atmosphere of Mars, and for Methane Isotopologues in Nitrogen Representing the Atmosphere of Titan

Data provided by  National Institute of Standards and Technology

Values are computed for the dilute-gas diffusivity of water isotopologues in N2, CO2, and their mixture at a composition representing the atmosphere of Mars, for standard conditions of 101.325 kPa and water mole fraction approaching zero. Values are similarly computed for the diffusivity of methane isotopologues in N2, representing the atmosphere of Titan. Calculations employ state-of-the-art intermolecular potentials and classical trajectory calculations as described in the paper by R. Hellmann and A.H.

Tags: diffusivity,isotopes,Mars,Titan,water,methane,carbon dioxide,nitrogen,atmospheric science,

Modified: 2022-07-29

Views: 0

Ideal-gas Thermochemical Properties for Carbon Dioxide and its Isotopologues Calculated from Partition Functions

Data provided by  National Institute of Standards and Technology

Tabulations at 1 K intervals from 1 K to 6000 K of the partition function and standard-state isobaric heat capacity, entropy, and enthalpy for the 12 natural isotopologues of CO2, along with their standard uncertainties. Calculations performed with a partition function constructed from spectroscopic and theoretical data as described in the Appendix of the paper by A.H. Harvey, S.A. Tashkun, and E.W. Lemmon, to be submitted to J. Phys. Chem. Ref. Data. Note that the model does not account for dissociation of the CO2 molecule, making the results incomplete above approximately 3500 K.

Tags: carbon dioxide,heat capacity,enthalpy,entropy,ideal-gas properties,equation of state,partition function,thermochemistry,

Modified: 2022-07-29

Views: 0

Dataset from HDX-MS Studies of IgG1 Glycoforms and Their Interactions with the Fc(gamma)RIa (CD64) Receptor

Data provided by  National Institute of Standards and Technology

This database gives hydrogen-deuterium exchange mass spectrometry (HDX-MS) data from measurements of three purified IgG1 glycoform samples, predominantly G0F, G2F, and SAF, in isolation and in complexation with the high-affinity receptor, Fc(gamma)RIa (CD64). The IgG1 antibody used in this study, aIL8hFc, is a murine-human chimeric IgG1, which inhibits IL-8 binding to human neutrophils.

Tags: antibody-receptor interaction,chromatography,HDX-MS,hydrogen-deuterium exchange,glycosylation,mass spectrometry,monoclonal antibody,precision,peptide,protein,proteolysis,proteomics,receptor.,

Modified: 2022-07-29

Views: 0

Absolute 13C/12C Isotope Amount Ratio for Vienna Pee Dee Belemnite from Infrared Absorption Spectroscopy

Data provided by  National Institute of Standards and Technology

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.

Tags: greenhouse gases,carbon dioxide,oceans,ph,marine mammals,remote sensing,seabirds,Environment and Climate,

Modified: 2022-07-29

Views: 0

In Situ Carbon Dioxide, Methane, and Carbon Monoxide Mole Fractions from the Los Angeles Megacity Carbon Project

Data provided by  National Institute of Standards and Technology

Hourly observations of carbon dioxide (CO2) and methane (CH4) mole fractions in dry air from tower- and rooftop-based sites in the Los Angeles Megacity Carbon Project network (currently 11 stations, with a 12th to be added in 2022). Carbon monoxide (CO) observations exist at several stations in this network but are not included in this data release pending additional calibration verification. Please contact the authors for higher frequency data, which are available on request. Data files are comma delimited (CSV).

Tags: greenhouse gases,GHG Measurements,Urban Emissions Modeling,carbon dioxide,methane,

Modified: 2022-07-29

Views: 0

Air-broadening in near-infrared carbon dioxide line shapes: quantifying contributions from O2, N2, and Ar

Data provided by  National Institute of Standards and Technology

Dataset for generation of figures in Air-broadening in near-infrared carbon dioxide line shapes: quantifying contributions from O2, N2, and Ar (https://doi.org/10.1016/j.jqsrt.2021.107669)

Tags: spectroscopy,higher order lineshapes,carbon dioxide,

Modified: 2022-07-29

Views: 0

High accuracy spectroscopic parameters of the 1.27 um band of O2 measured with comb-referenced, cavity ring-down spectroscopy

Data provided by  National Institute of Standards and Technology

Data corresponding to Figs. 2,3,5,6,11,12,13,14 for Fleurbaey et al J. Quant Spectrosc. Radiat. Transf. vol 270, 107684 (2021). doi.org.10.1016/j.jqsrt.2021.107684

Tags: greenhouse gases,carbon dioxide,oceans,ph,marine mammals,remote sensing,seabirds,Environment and Climate,

Modified: 2022-07-29

Views: 0