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

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.

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.

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.

An experiment was set up within a machine tool at the National Institute of Standards and Technology (NIST) to test vision-based thermal drift tracking methods. A wireless microscope within a tool holder in the spindle is used to capture videos of image targets attached to the worktable. For each target, one video is captured during spindle rotation orthogonal to the worktable and another video is captured during axis translation orthogonal to the worktable.

Python scripts and Python+Qt graphical user interface for calculating Feldman-Cousins confidence intervals for low-count Poisson processes in the presence of a known background and for Gaussian processes with a physical lower limit of 0.

The NISTmAb Interlaboratory NMR Study is a joint effort between 25 organizations to evaluate the performance of two-dimensional (2D) heteronuclear NMR as used to characterize the high order structure (HOS) of proteins, with the aim of harmonizing 2D-NMR methods to support industrial use of NMR as applied to mAb therapeutics. This study features nearly equal representation between laboratories from academia, government, and industry, including 4 laboratories from regulatory agencies.

NIST developed a reference material consisting of synthetic fragments of the SARS-CoV-2 virus RNA, which is the target of molecular diagnostic tests. These RNA fragments can assist in the development and validation of RT-qPCR assays for the detection SARS-CoV-2. The RNA fragments are characterized for concentration using digital PCR methods, may be used to assess limits of detection for SARS-CoV-2 assays, and may calibrate other in-house or commercial SARS-CoV-2 controls. This dataset includes data used for RTGM 10169 SARs-Cov-2 Research Grade Test Material validation.

This tool uses techniques from ASTM E3200 for evaluating manufacturing investments from the perspective of environmentally sustainable manufacturing by pairing economic methods of investment analysis with environmental aspect of manufacturing. The economic techniques used include net present value, internal rate of return, payback period, and hurdle rate. These four techniques are deterministic, meaning that they deal with known values that are certain. The tool also conducts a sensitivity analysis using Monte Carlo techniques.

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.