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).

NeXLCore.jl represents the basic physics related data and algorithms necessary to interpret and understand X-ray emission.

This tutorial provides mechanical drawings, electrical schematics, parts lists, STL files for 3D-printed parts, IGS files, and instructions for automated machining necessary for construction of a dual-protease, subzero, liquid chromatography system for hydrogen-deuterium exchange mass spectrometry. Electrical schematics for construction of a multi-zone temperature controller that regulate to ±0.1 oC are also included in this tutorial.

The spreadsheet file reported herein provides centroid data, descriptive of deuterium uptake, for the Fab Fragment of NISTmAb (PDB: 5K8A) reference material, as measured by the bottom-up hydrogen-deuterium exchange mass spectrometry (HDX-MS) method. The protein sample was incubated in deuterium-rich solutions under uniform pH and salt concentrations between 3.6 degrees C and 25.4 degrees C for seven intervals ranging (0 to 14,400) s plus a control sample that simulates a Fab Fragment immersed for infinite time in D2O.

The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are to provide a benchmark set of experimental data for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of gas-phase thermochemical properties. The data files linked to this record are a subset of the experimental data present in the CCCBDB.

Liquid-chromatography-mass spectrometry (LC-MS) raw data sets from various instruments delivered in their native instrument format. 31 files in all. 7.5 GB data.

Sulfonephthalein pH indicator dyes have historically been noted for impurities originating from the synthesis process which lead to batch to batch differences in pH measurements. Uncertainties up to 0.1 pH units have been attributed to impurities in these reagents.

This API is designed to find the rankings by geography within the state for a specific metric (population or household) and rank (any of the metrics from provider, demographic, technology or speed). The results are the top ten and bottom ten records within the state for the particular geography type and my area rankings. Additionally we include +/- 5 rankings from the 'my' area rank.

This API is designed to find the rankings by any geography ID within the nation with a specific census metric (population or household) and ranking metric (any of the metrics from provider, demographic, technology or speed). The results are the top ten and bottom ten rankings within the nation for the particular geography type and my area rankings include +/- 5 rankings from the my area rank.