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24 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

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

NIST-LANL Lanthanide Opacity Database

Data provided by  National Institute of Standards and Technology

The database contains radiative line-binned opacities for lanthanides (atomic number 57

Tags: kilonova,lanthanides,opacity,radiation,neutron star merger,atomic physics,

Modified: 2022-07-29

Views: 0

SRM 2969 Vitamin D Metabolites in Frozen Human Serum (Total 25-Hydroxyvitamin D Low Level) Data

Data provided by  National Institute of Standards and Technology

SRM 2969 Electronic files containing certified values and their uncertainties, and the data used to assign those values

Tags: vitamin D,25-hydroxyvitamin D,serum,mass spectrometry,

Modified: 2022-07-29

Views: 0

SRM 2970 Vitamin D Metabolites in Frozen Human Serum (25-Hydroxyvitamin D2 High Level) Data

Data provided by  National Institute of Standards and Technology

Electronic files containing certified values and their uncertainties, and the data used to assign those values.

Tags: vitamin D,25-hydroxyvitamin D,serum,mass spectrometry,

Modified: 2022-07-29

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: 2022-07-29

Views: 0

NIST Handbook of Basic Atomic Spectroscopic Data - SRD 108

Data provided by  National Institute of Standards and Technology

This handbook provides a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. The compilation includes energy levels, ionization energies, wavelengths, line intensities, transition probabilities, and spectrum assignments for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99), given in separate tables for each element. It includes approximately 12,000 spectral lines of all elements. Bibliographic references are provided for all data.

Tags: actinium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,Atomic Weights,barium,berkelium,beryllium,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,copper,curium,dysprosium,einsteinium,element,Elemental Data,erbium,europium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,Isotopic Composition,krypton,lanthanum,lead,lithium,lutetium,magnesium,manganese,mercury,molybdenum,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,osmium,oxygen,palladium,phosphorus,platinum,plutonium,polonium,potassium,praseodymium,promethium,protactinium,radium,Radon,rhenium,rhodium,rubidium,ruthenium,samarium,scandium,selenium,silicon,silver,Singly Charged,Singly Ionized,sodium,spectrum,strontium,sulfur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,tungsten,vanadium,xenon,ytterbium,yttrium,zinc,zirconium,atomic energy levels,atomic spectra,atomic spectral lines,ionization energy,ionization potential,wavelengths,

Modified: 2022-07-29

Views: 0

NIST Atomic Spectral Line Broadening Bibliographic Database

Data provided by  National Institute of Standards and Technology

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.

Tags: actinium,aluminium,aluminum,americium,antimony,argon,arsenic,astatine,atom,atomic data,Atomic Ions,atomic physics,atomic property,Atomic Spectroscopy,barium,berkelium,beryllium,Bibliographic database,Bibliography,bismuth,bohrium,boron,bromine,cadmium,calcium,californium,carbon,cerium,cesium,chlorine,chromium,cobalt,columbium,copernicium,copper,curium,darmstadtium,deuterium,Doubly Charged,Doubly Ionized,dubnium,dysprosium,einsteinium,elements,erbium,europium,fermium,flerovium,fluorine,francium,gadolinium,gallium,germanium,gold,hafnium,hassium,helium,holmium,hydrogen,indium,iodine,Ionized Atoms,iridium,iron,krypton,kurchatovium,lanthanum,lawrencium,lead,Line broadening,Literature,lithium,livermorium,lutetium,magnesium,manganese,meitnerium,mendelevium,mercury,molybdenum,Multiply Charged,Natural broadening,neodymium,neon,neptunium,Neutral Atoms,nickel,niobium,nitrogen,nobelium,osmium,oxygen,palladium,phosphorus,Plasma diagnostics,platinum,plutonium,polonium,potassium,praseodymium,Pressure shift,promethium,protactinium,Quadruply Charged,Quadruply Ionized,radium,Radon,Resonance broadening,rhenium,rhodium,roentgenium,rubidium,ruthenium,rutherfordium,samarium,scandium,seaborgium,Searchable,selenium,silicium,silicon,silver,Singly Charged,Singly Ionized,sodium,Spectral line profile,Spectral line shape,Spectral line shift,Spectral line width,spectrum,Stark broadening,Stark shift,strontium,sulfur,sulphur,tantalum,technetium,tellurium,terbium,thallium,thorium,thulium,tin,titanium,Triply Charged,Triply Ionized,tritium,tungsten,uranium,vanadium,xenon,ytterbium,yttrium,Zeeman broadening,zinc,zirconium,van der Waals broadening,

Modified: 2022-07-29

Views: 0