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NeXLCore.jl - A library of basic physics for atomic X-ray processes in the Julia language
Data provided by National Institute of Standards and Technology
NeXLCore.jl represents the basic physics related data and algorithms necessary to interpret and understand X-ray emission.
Tags: x-ray,physics,Energy,mass absorption,Ionization,bremsstrahlung,characteristic,
Modified: 2024-02-22
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: 2024-02-22
Views: 0
Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) Centroid Data measured between 3.6 degrees C and 25.4 degrees C for the Fab Fragment of NISTmAb
Data provided by National Institute of Standards and Technology
The spreadsheet file reported herein provides centroid data, descriptive of deuterium uptake, for the Fab Fragment of NISTmAb (PDB: 5K8A) reference material, as measured by the bottom-up hydrogen-deuterium exchange mass spectrometry (HDX-MS) method. The protein sample was incubated in deuterium-rich solutions under uniform pH and salt concentrations between 3.6 degrees C and 25.4 degrees C for seven intervals ranging (0 to 14,400) s plus a control sample that simulates a Fab Fragment immersed for infinite time in D2O.
Tags: hydrogen-deuterium exchange,hydrogen exchange,HDX-MS,interlaboratory comparison,mass spectrometry,peptide,precision,proteomics,reference material,repeatability,reproducibility,
Modified: 2024-02-22
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: 2024-02-22
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: 2024-02-22
Views: 0
NIST Thermophysical Properties of Hydrocarbon Mixtures Database- SRD 4
Data provided by National Institute of Standards and Technology
SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 210 components, mostly hydrocarbons. SUPERTRAPP performs phase equilibria calculations and gives the thermophysical properties of all phases and the feed.
Tags: Lennard Jones,butenes,chemical engineering,chemistry,equations of state,flash calculations,fluids,gaseous,gases,hydrocarbons,liquidus,mixtures,natural gases,petrochemicals,phase equilibria,physics,supercritical fluids,thermo chemistry,thermo physical,thermochemical data,thermodynamic data,thermodynamic properties,thermodynamics,thermophysics,transport properties,transport property data,
Modified: 2024-02-22
Views: 0
NIST XCOM: Photon Cross Sections Database - SRD 8
Data provided by National Institute of Standards and Technology
A web database is provided which can be used to calculate photon cross sections for scattering, photoelectric absorption and pair production, as well as total attenuation coefficients, for any element, compound or mixture (Z <= 100) at energies from 1 keV to 100 GeV. XCOM provides two forms of output: (a) tables which correspond closely in format to existing tables in the literature; (b) graphical display of the tabular data.
Tags: X rays,Xrays,bremsstrahlung,electron pair productions,elements,energies,gamma rays,mixtures,nuclear pair productions,nuclear physics,photons,physics,total attenuation coefficients,
Modified: 2024-02-22
Views: 0
NIST/ASME Steam Properties Database - SRD 10
Data provided by National Institute of Standards and Technology
The NIST/ASME Steam Properties Database is based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for general and scientific use for the thermodynamic properties of water, this updated version provides water properties from the international standards over a wide range of conditions. Version 3.0 incorporates new IAPWS standards adopted in 2008 for the viscosity and for the melting and sublimation curves and in 2011 for the thermal conductivity.
Tags: chemical engineering,chemistry,dielectric,energies,equations of state,fluids,gas phases,liquid phases,phase equilibria,physics,properties of water,refractive index,refractivity,steam tables,supercritical,thermodynamic data,thermodynamic properties,thermodynamics,thermophysical,thermophysics,transport properties,transport property data,
Modified: 2024-02-22
Views: 0
NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) Version 9 - SRD 23
Data provided by National Institute of Standards and Technology
**NOTICE: THIS VERSION OF REFPROP (9.1) has been superseded by Version 10: https://doi.org/10.18434/T4/1502528 ** NIST Standard Reference Data 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia. Version9.1 REFPROP 9.1 has replaced the NIST 12 and 14 databases.
Tags: AGA-8,Benedict Webb Rubin,CFCs,Excels,FORTRAN,GERG 2004,GERG 2008,Gibbs,Gruneisen,HCFCs,HFCs,Joule-Thomson,Lennard Jones,MBWR,Pitzer,Second cross virial coefficient,acentric factors,adiabatics,air,air conditioning,air conductivities,air densities,air viscosities,alternative refrigerants,azeotropes,binaries,binary mixtures,biodiesels,biofuels,boiling points,boilings,butenes,calorific values,chemical engineering,chemical potentials,chemicals,chemistry,chlorofluorocarbons,compressed natural gases,conductivity functions,cooling equipment,critical flow factors,criticals,cryogen,cryogenics,energies,equations of state,excess values,extended corresponding states,fatty acid methyl esters,fluids,fluorinated,freons,fugacity coefficients,fundamentals,gas and oil,gas phases,gaseous,gases,graphical interfaces,greenhouse gases,gross heating values,heats,heavy waters,hydrocarbons,hydrochlorofluorocarbons,hydrofluorocarbons,hydrogen fuel cells,interaction parameters,liquid equilibria,liquified natural gases,mechanical engineering,mixtures,modelings,molar masses,natural gases,net heating values,normal hydrogens,nuclear magnetic resonance,orthohydrogens,ozone depletions,parahydrogens,phase boundaries,phase diagrams,phase equilibria,physical,physics,pseudo pure fluids,pure fluids,reference states,refrigerants,refrigerations,saturated,siloxanes,software,sound speeds,specific heat inputs,states,substances,supercritical CO2,thermal,thermo chemistry,thermo physical,thermochemical data,thermodynamic data,thermodynamic properties,thermodynamics,thermophysical data,thermophysical properties,thermophysics,thermos,transport equations,transport properties,transport property data,triples,vapor,vapor compression cycles,water densities,water properties,water vapor pressures,
Modified: 2024-02-22
Views: 0
NIST/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35
Data provided by National Institute of Standards and Technology
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.
Tags: Joint Committee for Atomic and Molecular Physical Data,absorption spectra,chemical structures,gas phases,gases,infra red,infrared spectra,mass spectra,mass spectrometry,molecular spectroscopy,molecular vibrations,physics,spectra,spectroscopy,structural data,structures,vapor phase infrared,
Modified: 2024-02-22
Views: 0
