The NIST Mass Spectrometry Data Center has been performing the metabolite profiling of several standard reference materials (SRM) from biofluids, such as human blood and urine, using hyphenated mass spectrometry techniques. Our focus has been primarily on developing applications for the NIST Mass Spectral Libraries to facilitate their use and reach specific scientific communities. However, these datasets can be useful in bioinformatics, AI, clinical applications, and more. Here, we include the urine raw data and associated metadata.
Materials and Methods

Dataset for the APL paper "Superconducting Qubit Control Using Cryogenic Frequency Conversion".

We utilize Bayesian analysis of variance to estimate the effects of calibration and disconnect levels for repeated scattering-parameter measurements made with a vector network analyzer. Here, we describe the Bayesian estimation technique, including our random effects model, prior assumptions, Markov chain Monte Carlo simulations, and convergence diagnostics. Our data is structured hierarchically, such that measurements are nested within repeats, which are nested within disconnects, which are further nested within calibrations.

Data associated with the publication: "The fundamental linewidth limit of electromagnetically induced transparency in a thermal Rydberg ladder system"

Lipid nanoparticles (LNPs) were prepared as described (https://doi.org/10.1038/s42003-021-02441-2) using the lipids DLin-KC2-DMA, DSPC, cholesterol, and PEG-DMG2000 at mol ratios of 50:10:38.5:1.5. RNA was not included and LNPs were ejected into pH 4 and pH 7.4 buffer after microfluidic assembly. To prepare samples for imaging, 3 μL of LNP formulation was applied to holey carbon grids (Quantifoil, R3.5/1, 200 mesh copper).

Data for a paper to be submitted to CPEM2026. Abstract:

Polymerase chain reaction (PCR) applications including sequencing rely on accurate thermostable DNA polymerases. Polymerization errors may hinder the detection of low-level DNA variants such as mutations in clinical samples or DNA from minor contributors in crime scene traces. Short Tandem Repeat (STR) markers are particularly affected by artefacts. Apart from the regular random base substitutions, the repeated structure of STRs makes them prone to formation of stutter products. However, the mechanisms leading to stutter formation have not yet been fully elucidated.

Python library for building life cycle assessment in NHERI SimCenter's Pelicun tool

This dataset presents statistics for Health Care and Social Assistance: Sales, Value of Shipments, or Revenue for Telemedicine Services for the U.S. and States

This repository contains Python analysis scripts for evaluating indoor air quality during simulated wildfire smoke infiltration events in a manufactured home test structure. The research investigates the effectiveness of various mitigation strategies, including portable air cleaners, HVAC filtration systems, and compartmentalization approaches for protecting indoor environments from wildfire smoke.