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.

Breadcrumb

  1. Home

Dataset Search

Search results

57 results found

Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances

Data provided by  National Institute of Standards and Technology

Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis.

Tags: per- and polyfluoroalkyl substances,PFAS,database,mass spectrometry,SQLite,emerging contaminants,high resolution mass spectrometry,non-targeted analysis,NTA,HRMS,

Modified: 2024-02-22

Views: 0

Optimal Bayesian Experimental Design Version 1.2.0

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,adaptive measurement,

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

Microplastic and nanoplastic chemical characterization by thermal desorption and pyrolysis mass spectrometry with unsupervised machine learning

Data provided by  National Institute of Standards and Technology

This data publication contains the mass spectrometry chemical characterization of microplastic and nanoplastic chemical analysis. The data from this study includes mass spectra of pure, mixed, and weathered microplastics and nanoplastics at high and low fragmentation, extracted ion chronograms, Kendrick mass defect plots, code, and the derived and processed data. The data analysis code (MATLAB 2022a*) used for unsupervised learning of cluster and compositional relationships is also included.

Tags: Microplastic,Nanoplastics,environment,mass spectrometry,GC-MS,Chemical Characterization,machine learning,

Modified: 2024-02-22

Views: 0

Per- and polyfluoroalkyl substances (PFAS) Interferents List

Data provided by  National Institute of Standards and Technology

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

Tags: per- and polyfluoroalkyl substances,PFAS,mass spectrometry,analytical chemistry,high-resolution mass spectrometry,HRMS,LC-MS/MS,

Modified: 2024-02-22

Views: 0

Simantha: Simulation for Manufacturing

Data provided by  National Institute of Standards and Technology

Simantha is a discrete event simulation package written in Python that is designed to model the behavior of discrete manufacturing systems. Specifically, it focuses on asynchronous production lines with finite buffers. It also provides functionality for modeling the degradation and maintenance of machines in these systems. Classes for five basic manufacturing objects are included: source, machine, buffer, sink, and maintainer. These objects can be defined by the user and configured in different ways to model various real-world manufacturing systems.

Tags: discrete-event simulation,manufacturing,production,maintenance,python,

Modified: 2024-02-22

Views: 0

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: 2024-02-22

Views: 0

Python tools for measuring filament defects in embedded 3D printing

Data provided by  National Institute of Standards and Technology

In embedded 3D printing, a nozzle is embedded into a support bath and extrudes filaments or droplets into the bath. This repository includes Python code for analyzing and managing images and videos of the printing process during extrusion of single filaments. The zip file contains the state of the code when the associated paper was submitted. The link to the GitHub page goes to version 1.0.0, which is the same as the code attached here. From there, you can also access the current state of the code.Associated with: L. Friedrich, R. Gunther, J.

Tags: python,digital image analysis,computer vision,3D printing,additive manufacturing,openCV,

Modified: 2024-02-22

Views: 0

Entropy Source Validation Client

Data provided by  National Institute of Standards and Technology

This tool is a Python client that can interact with the NIST Entropy Source Validation Test System.

Tags: python,Entropy Source Validation Test System,NIST,CMVP,ESV Client,

Modified: 2024-02-22

Views: 0

Sim-PROCESD: Simulated-Production Resource for Operations and Conditions Evaluation to Support Decision-making

Data provided by  National Institute of Standards and Technology

Sim-PROCESD is a discrete event simulation package written in Python that is designed to model the behavior of discrete manufacturing systems. Specifically, it focuses on asynchronous production lines. It also provides functionality for modeling the degradation and maintenance of machines in these systems. Sim-PROCESD provides class definitions for manufacturing devices/components that can be configured by the user to model various real-world manufacturing systems.

Tags: discrete-event simulation,manufacturing,production,maintenance,python,

Modified: 2024-02-22

Views: 0