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.

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

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

The NIST scan framework is a framework that greatly simplifies the process of writing and maintaining scans of experimental parameters using the ARTIQ control system and language. The framework adopts the philosophy of convention over configuration where datasets are stored for analysis and plotting in a standard directory structure. The framework provides a number of useful features such as automatic calculation of statistics, fitting, validation of fits, and plotting that do not need to be performed by the user.

The library multicomplex is an implementation of multicomplex algebra in C++ to allow for higher-order derivatives of numerical functions. Many (though not all) mathematical functions are implemented, allowing for calculation of derivatives (straight and mixed) to approximately numerical precision, which is difficult or impossible to achieve in conventional double precision

These LC-MS and LC-MS/MS raw data were collected for purposes of an interlaboratory study evaluating the multi-attribute method (MAM). Tryptic digests of native NISTmAb (the "Reference" and the "Unknown" samples), degraded NISTmAb (the "pH Stress" sample) and NISTmAb spiked with 15 heavy-labeled synthetic peptides (the "Spike" sample) were sent to each participating laboratory. One injection of each digest was acquired in MS-only mode, while a second injection was acquired in MS/MS mode.

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.

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.

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.

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