Source code associated with the Inverted Library Search Algorithm (ILSA) for identifying mixture components using is-CID mass spectra. This source code is frozen to accompany the manuscript titled "Updates to the Inverted Library Search Algorithm for mixture analysis" by Moorthy et. al.

Speed of Sound Measurements of Binary Mixtures of Difluoromethane (R-32) with 2,3,3,3-Tetrafluoropropene (R-1234yf) or trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

These LC-MS and LC-MS/MS raw data were collected for purposes of an interlaboratory study evaluating the multi-attribute method (MAM). Tryptic digests of native NISTmAb (the "Reference" and the "Unknown" samples), degraded NISTmAb (the "pH Stress" sample) and NISTmAb spiked with 15 heavy-labeled synthetic peptides (the "Spike" sample) were sent to each participating laboratory. One injection of each digest was acquired in MS-only mode, while a second injection was acquired in MS/MS mode.

SRM 2969 Electronic files containing certified values and their uncertainties, and the data used to assign those values

Electronic files containing certified values and their uncertainties, and the data used to assign those values.

Data corresponding to Figs. 2,3,5,6,11,12,13,14 for Fleurbaey et al J. Quant Spectrosc. Radiat. Transf. vol 270, 107684 (2021). doi.org.10.1016/j.jqsrt.2021.107684

Dataset for generation of figures in Air-broadening in near-infrared carbon dioxide line shapes: quantifying contributions from O2, N2, and Ar (https://doi.org/10.1016/j.jqsrt.2021.107669)

Hourly observations of carbon dioxide (CO2) and methane (CH4) mole fractions in dry air from tower- and rooftop-based sites in the Los Angeles Megacity Carbon Project network (currently 11 stations, with a 12th to be added in 2022). Carbon monoxide (CO) observations exist at several stations in this network but are not included in this data release pending additional calibration verification. Please contact the authors for higher frequency data, which are available on request. Data files are comma delimited (CSV).

Values are computed for the dilute-gas diffusivity of water isotopologues in N2, CO2, and their mixture at a composition representing the atmosphere of Mars, for standard conditions of 101.325 kPa and water mole fraction approaching zero. Values are similarly computed for the diffusivity of methane isotopologues in N2, representing the atmosphere of Titan. Calculations employ state-of-the-art intermolecular potentials and classical trajectory calculations as described in the paper by R. Hellmann and A.H.

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.