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.

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.

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).

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).

The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters.

This is a file containing aggregation data for two proteins that were thermomechanically aggregated. The aggregated proteins were separated by asymmetric flow field flow fractionation and separated protein fractions were detected and quantified by UV spectrophotometry and multi-angle light scattering. The UV spectrophotometry was used to quantify the amount of residual monomer, which is reported herein. The multi-angle light scattering was fitted to a relevant model to calculate the molecular weight of the aggregated protein, also reported herein.

This tool calculates metrics for investment analysis documented in NIST Advanced manufacturing Series 200-5. It calculates net present value, internal rate of return, and payback period along with executing sensitivity analysis using Monte Carlo techniques. The tool helps to identify the most economical projects/investments. For instance, it could be used to identify the most economical heating and cooling system or it might be used to rank a set of potential investments.

The QIF PMI Report (QPR) software generates a spreadsheet from a QIF (Quality Information Framework) file containing Product and Manufacturing Information (PMI). QIF is a unified XML framework standard for computer-aided quality QIF systems, available free to all implementers. QIF enables the capture, use, and re-use of metrology-related information throughout the Product Lifecycle Management (PLM) and Product Data Management (PDM) domains. QIF was created by the Digital Metrology Standards Consortium.

This dataset includes the position data of a two-dimensional gantry system experiment in which the G-code commands for the gantry were transmitted through a wireless communications link. The testbed is composed of four main components related to the operation of the gantry system. These components are the gantry system, the Wi-Fi network, the RF channel emulator, and the supervisory computer. In the experimental study, we run a scenario in which the gantry tool moves sequentially between four positions and has a preset dwell at each of the positions.

This tool is used to implement Monte Carlo analysis, which uses probabilistic sensitivity analysis to account for uncertainty. This tool is developed to follow the simulation segment of ASTM E1369. This technique involves a method of model sampling. Specification involves defining which variables are to be simulated, the distribution of each of these variables, and the number of iterations performed. The software then randomly samples from the probabilities for each input variable of interest. Three common distributions that are used include triangular, normal, and uniform.