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.

Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.

This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The Atomic Spectroscopy Data Center has carried out these critical compilations. The Data Center is located in the Physical Measurement Laboratory at the National Institute of Standards and Technology (NIST).

JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.

The Force-field section of JARVIS (JARVIS-FF) consists of thousands of automated LAMMPS based force-field calculations on DFT geometries. Some of the properties included in JARVIS-FF are energetics, elastic constants, surface energies, defect formations energies and phonon frequencies of materials.

Standard Reference Material 1632d Trace Elements in Coal (Bituminous) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 1632d consists of 50 g of bituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, bottled under an argon atmosphere, and sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

SRM 1633c Trace Elements in Coal Fly Ash - This Standard Reference Material (SRM) is intended for use in the evaluation of analytical methods for the determination of constituent elements in coal fly ash or materials of a similar matrix. SRM 1633c is a bituminous coal fly ash that was sieved through a nominal sieve opening of 74 µm (200 mesh) and then blended to assure homogeneity. A unit of SRM 1633c consists of 75 g of powdered material. This data is public in the Certificate of Analysis for this material.

SRM 1635a Trace Elements in Coal (Subbituminous) - This Standard Reference Material (SRM) is intended primarily for the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 1635a consists of 50 g of subbituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, bottled under an argon atmosphere, and sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.