Combustion calorimetry is the main method for the determination of enthalpies of formation for organic compounds. Rigorous application of the method uses a 100-step procedure, sometimes called Washburn corrections, to convert the experimental results into standard thermodynamic quantities. Because every laboratory uses its own in-house software implementing this procedure, which is often not available for verification or testing, it is difficult to fully assess experimental results. Furthermore, these programs often use obsolete reference values of thermodynamic properties.

ThermoML is an XML-based IUPAC standard for the storage and exchange of experimental thermophysical and thermochemical property data. The ThermoML archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 1520-5134), The Journal of Chemical Thermodynamics (ISSN: 1096-3626), Fluid Phase Equilibria (ISSN: 0378-3812), Thermochimica Acta (ISSN: 0040-6031), and International Journal of Thermophysics (ISSN: 1572-9567).

The dissertation "The Thermodynamics and Hysteresis of Adsorption" by A. J. Brown, contains unique measurements of adsorption/desorption isotherms of Xenon, Krypton, and Carbon Dioxide in Vycor Glass. A particular hallmark of this set of isotherms is an extensive set of scanning isotherms of Xenon at 151 K, examining numerous trajectories inside the adsorption-desorption hysteresis loop. The isotherms were provided in tabular form in appendices of the dissertation, allowing for conversion to digital files without loss of fidelity.

Sample data and code for "Accurate localization microscopy by intrinsic aberration calibration", Craig R. Copeland, Craig D. McGray, B. Robert Ilic, Jon Geist, and Samuel M. Stavis, Nature Communications X, Y (2021). For use in MATLAB.

This project aims to create a comprehensive framework for generating radio frequency (RF) datasets, designing deep learning (DL) detectors, and evaluating their detection performance using both simulated and experimental test data. The proposed tools and techniques are developed in the context of dynamic spectrum use for the 3.5 GHz Citizens Broadband Radio Service (CBRS), but they can be utilized and expanded for standardization of machine learned spectrum awareness technologies and methods.

Round 5 Train DatasetThe data being generated and disseminated is the train data used to construct trojan detection software solutions. This data, generated at NIST, consists of natural language processing (NLP) AIs trained to perform text sentiment classification on English text. A known percentage of these trained AI models have been poisoned with a known trigger which induces incorrect behavior. This data will be used to develop software solutions for detecting which trained AI models have been poisoned via embedded triggers.

This database contains imaging and calibration data for phantoms contained in the NIST/NIBIB Phantom Lending Library (PLL). Description and access to the PLL can be found at https://www.nist.gov/programs-projects/nistnibib-medical-imaging-phanto… . Public analysis software written in Python can be found at https://github.com/MRIStandards/PhantomViewer .

This dataset contains information regarding the development of targeted GC-MS methods for forensic seized drug analysis. Included in this dataset are method parameter files, mass spectra, mass spectral databases, and retention time / retention index data.

Tabulations at 1 K intervals from 1 K to 6000 K of the partition function and standard-state isobaric heat capacity, entropy, and enthalpy for the 12 natural isotopologues of CO2, along with their standard uncertainties. Calculations performed with a partition function constructed from spectroscopic and theoretical data as described in the paper: S.A. Tashkun and A.H. Harvey, "Partition Functions and Ideal-Gas Thermodynamics for Carbon Dioxide," submitted to J. Phys. Chem. Ref. Data (2025).

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.