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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: 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
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 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
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
pySCATMECH: A Python interface to the SCATMECH C++ library of polarized light scattering codes
Data provided by National Institute of Standards and Technology
SCATMECH is a library of object-oriented C++ computer codes originally developed for disseminating models for polarized light scattering from surfaces and aerosols and for diffraction from gratings. The pySCATMECH package has been developed as an interface to the SCATMECH library, simplifying use of the codes and allowing for more rapid development of software for these applications.
Tags: aerosol,bidirectional reflectance,BRDF,diffuse,gratings,Mie scattering,modeling,Mueller matrix,polarization,python,roughness,scatter,surface,
Modified: 2024-02-22
Views: 0
Optimal Bayesian Experimental Design Version 1.0.1
Data provided by National Institute of Standards and Technology
Python module 'optbayesexpt' uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given an parametric model - analogous to a fitting function - Bayesian inference uses each measurement 'data point' to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.
Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,measurement,
Modified: 2024-02-22
Views: 0
SEDCORR: An Algorithm for Correcting Systematic Energy Deficits in the Atom Probe Mass Spectra
Data provided by National Institute of Standards and Technology
SEDCORR is an open-source Python module designed to correct for the systematic energy deficits in atom probe mass spectra of electrically insulating samples. The assumption of the algorithm is that the mass spectrum for a dataset is conserved throughout the dataset and that any changes to the peak positions arise from an unknown slowly-fluctuating accelerating voltage. For computational speed, the unknown accelerating voltage is determined using a template matching FFT-based cross correlation method.
Tags: atom probe microscopy,insulator,mass spectra,energy deficit correction,python,FFT,
Modified: 2024-02-22
Views: 0
Optimal Bayesian Experimental Design
Data provided by National Institute of Standards and Technology
Python module "optbayesexpt" uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given a parametric model - analogous to a fitting function - Bayesian inference uses each measurement "data point" to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.
Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,measurement,
Modified: 2024-02-22
Views: 0
pyLLE: a Fast and User Friendly Lugiato-Lefever Equation Solver
Data provided by National Institute of Standards and Technology
We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.
Tags: photonics,optics,frequency combs,python,julia,
Modified: 2024-02-22
Views: 0