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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Advancing Elemental and Isotopic Analysis of Uranium Mineral Inclusions: Rapid Screening via Laser-Induced Breakdown Spectroscopy and High-Resolution Laser Ablation-ICP-MS Mapping

The work presented herein employs two laser-based analytical techniques (laser-induced breakdown spectroscopy (LIBS) and laser ablation – inductively coupled plasma – mass spectrometry (LA-ICP-MS)) to spatially determine the elemental and isotopic composition of uranium bearing minerals. Uniquely, this work leverages the high-speed applicability of LIBS to “screen” the sample(s) for their elemental constituents. After determining the location of the uranium inclusions (via LIBS), high-resolution LA-ICP-MS was employed to further characterize the inclusions. The high-resolution (sub-µm) capabilities of LA-ICP-MS were able to extract important information from the uranium minerals including discerning its chemical form (e.g., finchite from carnotite, Sr- and K-bearing uranyl vanadates, respectively) as well as their 235 U/ 238 U isotopic composition. This approach, LIBS followed by LA-ICP-MS, significantly reduces the analysis time (~95 %) in comparison to employing a LA-ICP-MS only approach. Furthermore, this work presented a novel approach to analyzing inclusions via a particle/inclusion analysis tool which is commercially available within the iolite 4 software. This tool allowed for a more accurate characterization of the isotopic distribution of the inclusions, as well as allowing for rapid sizing of the inclusions. Finally, this analytical approach could readily be applied to other sample types in which the target species (e.g., µm-sized inclusions) are embedded in complex matrices (e.g., cm-sized samples).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Agilent CRADA (Abstract)

The CRADA between Agilent Technologies Inc. and Battelle will focus on five software components as listed below: Prototype 4D Feature Finding functionality with a particular focus on recovering low level features and extending the bottom end dynamic range of IM-MS technology. Compare and contrast developments to current 4D Feature Finding capabilities. Highlight important algorithmic aspects employed. Implement the PNNL saturation correction algorithm. Agilent will give PNNL the needed data file access API and assistance in understanding it implementation and any needed instrumental aspects. Supported high resolution products to include Agilent’s TOF, QTOF and IM-QTOF mass spectrometers. PNNL will then work with Agilent to benchmark performance. Implementation of the PNNL Hadamard de-multiplexing algorithm. Agilent will give provide PNNL the needed date file access API access and as needed assistance in understanding the current Agilent multiplexed IM offering. PNNL will then work with Agilent on benchmark performance. Add ion mobility collision cross sections to existing and new metabolomic libraries for data analysis with Agilent’s informatics program MPP/ID Browser. PNNL will work with Agilent to create a software pipeline that takes data from chemical and metabolic standards and properly formats it for inclusion in MPP accessible libraries, using the collision cross section as a new separation dimension. Improvements of MPP multidimensional matching to identify metabolomic features using multiple characteristics beyond retention time and accurate mass. Most significantly matching will include analyte collision cross section with proposed support for sample fraction or RapidFire cartridge and fragmentation spectra. PNNL will work with Agilent to modify and improve the current MPP analysis pipeline to allow for creating, aligning, and identifying MS features defined by accurate mass, collision cross section and chromatographic retention time. As additional criteria such as fraction or RapidFire cartridge type are supported in the identification process, then they also will become part of the automation workflow. This includes the automation of said system to work with command line program (i.e. not a GUI) sufficient for programmatic execution in a pipeline.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

The Office of the Materials Division

I was assigned to the Materials Division, which consists of the following branches; the Advanced Metallics Branch/5120-RMM, Ceramics Branch/5130-RMC, Polymers Branch/5150-RMP, and the Durability and Protective Coatings Branch/5160-RMD. Mrs. Pamela Spinosi is my assigned mentor. She was assisted by Ms.Raysa Rodriguez/5100-RM and Mrs.Denise Prestien/5100-RM, who are both employed by InDyne, Inc. My primary assignment this past summer was working directly with Ms. Rodriguez, assisting her with setting up the Integrated Financial Management Program (IFMP) 5130-RMC/Branch procedures and logs. These duties consisted of creating various spreadsheets for each individual branch member, which were updated daily. It was not hard to familiarize myself with these duties since this is my second summer working with Ms Rodriguez at NASA Glenn Research Center. RMC ordering laboratory, supplies and equipment for the Basic Materials Laboratory (Building 106) using the IF'MP/Purchase Card (P-card), a NASA-wide software program. I entered into the IFMP/Travel and Requisitions System, new Travel Authorizations for the 5130-RMC Civil Servant Branch Members. I also entered and completed Travel Vouchers for the 5130-RMC Ceramics Branch. I assisted in the Division Office creating new Emergency Contact list for the Materials Division. I worked with Dr. Hugh Gray, the Division Chief, and Dr. Ajay Misra, the 5130-RMC Branch Chief, on priority action items, with a close deadline, for a large NASA Proposal. Another project was working closely with Ms. Rodriguez in organizing and preparing for Dr. Ajay K. Misra's SESCDP (two year detail). This consisted of organizing files, file folders, personal information, and recording all data material onto CD's and printing all presentations for display in binders. I attended numerous Branch meetings, and observed many changes in the Branch Management organization.

Ramsey, amanda J.↗

NASA NTRS2014

How Well Does the Latest Anthropomorphic Test Device Mimic Human Impact Responses?

One of the goals of the NASA Occupant Protection Group is to understand the human tolerance to dynamic loading. This knowledge has to come through indirect approaches such as existing human response databases, anthropometric test devices (ATD), animal testing, post‐mortem human subjects, and models. This study investigated the biofidelity of the National Highway Traffic Safety Administration's ATD named the THOR (test device for human occupant restraint). If THOR responds comparably to humans, then it could potentially be used as a human surrogate to help validate space vehicle requirements for occupant protection. The THOR responses to frontal and spinal impacts (ranging from 8 to 12 G with rise times of 40, 70, and 100 ms) were measured and compared to human volunteer responses (95 trials in frontal and 58 in spinal) previously collected by the U. S. Air Force on the same horizontal impact accelerator. The impact acceleration profiles tested are within the expected range of multi‐purpose crew vehicle (MPCV) landing dynamics. A correlation score was calculated for each THOR to human comparison using CORA (CORrelation and Analysis) software. A two‐parameter beta distribution model fit was obtained for each dependent variable using maximum likelihood estimation. For frontal impacts, the THOR head x‐acceleration peak response correlated with the human response at 8 and 10‐G 100 ms but not 10‐G 70 ms. The phase lagged the human response. Head z‐acceleration was not correlated. Chest x‐acceleration was in phase, had a higher peak response, and was well correlated with lighter subjects (Cora = 0.8 for 46 kg vs. Cora = 0.4 for 126 kg). Head x‐displacement had a leading phase. Several subjects responded with the same peak displacement but the mean of the group was lower. The shoulder x‐displacement was in phase but had higher peaks than the human response. For spinal impacts, the THOR head x‐acceleration was not well correlated. Head and chest z‐acceleration was in phase but had a higher peak response. Chest z‐acceleration was highly correlated with heavier subjects at lower G pulses (Cora = 0.86 for 125 kg at 8 G). The human response was variable in shoulder z‐displacement but the THOR was in phase and was comparable to the mean peak response. Head xand z‐displacement was in phase but had higher peaks. Seat pan forces were well correlated, were in phase, but had a larger peak response than most subjects. The THOR does not respond to frontal and spinal impacts exactly the same way that a human does. Some responses are well matched and others are not. Understanding the strengths and weaknesses of this ATD is an important first step in determining its usefulness in occupant protection at NASA

Newby, N.↗

NASA NTRS2014

How Well Does the Latest Anthropomorphic Test Device Mimic Human Impact Responses?

One of the goals of the NASA Occupant Protection Group is to understand the human tolerance to dynamic loading. This knowledge has to come through indirect approaches such as existing human response databases, anthropometric test devices (ATD), animal testing, post-‐mortem human subjects, and models. This study investigated the biofidelity of the National Highway Traffic Safety Administration's ATD named the THOR (test device for human occupant restraint). If THOR responds comparably to humans, then it could potentially be used as a human surrogate to help validate space vehicle requirements for occupant protection. The THOR responses to frontal and spinal impacts (ranging from 8 to 12 G with rise times of 40, 70, and 100 ms) were measured and compared to human volunteer responses (95 trials in frontal and 58 in spinal) previously collected by the U. S. Air Force on the same horizontal impact accelerator. The impact acceleration profiles tested are within the expected range of multi-‐purpose crew vehicle (MPCV) landing dynamics. A correlation score was calculated for each THOR to human comparison using CORA (CORrelation and Analysis) software. A two-‐parameter beta distribution model fit was obtained for each dependent variable using maximum likelihood estimation. For frontal impacts, the THOR head x-‐acceleration peak response correlated with the human response at 8 and 10-‐G 100 ms but not 10-‐G 70 ms. The phase lagged the human response. Head z-‐acceleration was not correlated. Chest x-‐acceleration was in phase, had a higher peak response, and was well correlated with lighter subjects (Cora = 0.8 for 46 kg vs. Cora = 0.4 for 126 kg). Head x-‐displacement had a leading phase. Several subjects responded with the same peak displacement but the mean of the group was lower. The shoulder x-‐displacement was in phase but had higher peaks than the human response. For spinal impacts, the THOR head x-‐acceleration was not well correlated. Head and chest z-‐acceleration was in phase but had a higher peak response. Chest z-‐acceleration was highly correlated with heavier subjects at lower G pulses (Cora = 0.86 for 125 kg at 8 G). The human response was variable in shoulder z-‐displacement but the THOR was in phase and was comparable to the mean peak response. Head x-‐ and z-‐displacement was in phase but had higher peaks. Seat pan forces were well correlated, were in phase, but had a larger peak response than most subjects. The THOR does not respond to frontal and spinal impacts exactly the same way that a human does. Some responses are well matched and others are not. Understanding the strengths and weaknesses of this ATD is an important first step in determining its usefulness in occupant protection at NASA

Newby, Nate↗

DOE OSTI2025

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials

There is a growing need in the simulation community for software that provides a transparent, reproducible, usable, and extensible (TRUE) Monte Carlo (MC) simulation framework employing energies from ab initio methods and machine-learning interatomic potentials (MLIPs). We introduce a Python library (ASE-MC) that adds Monte Carlo functionality to the Atomic Simulation Environment (ASE) package. Now, we can combine the powerful tools used to build systems and perform ab initio and MLIP in ASE with MC simulation algorithms to sample the configurational space with a concise Python script. After presenting the design philosophy, we demonstrate the flexibility of our approach using selected examples. These example simulations include liquid water described with a message-passing MLIP in the canonical and isothermal–isobaric ensembles, sampling the characteristic dihedral angle of biphenyl and comparing an MLIP to first-principles calculations, and a grand canonical Monte Carlo simulation of ammonia adsorption on Pt(111). These examples showcase the main features of the software, which include flexibility in the choice of ab initio or MLIP engine, ab initio or MLIP grand canonical MC with cavity bias insertions and deletions, the ability to add custom MC moves to the move set, and how users can condense complex MC workflows into a single Python script. Finally, this library serves as a framework for reproducible Monte Carlo simulations, facilitating easy reproduction of the work and application to new systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Low-latency NuMI Trigger for the CHIPS-5 Neutrino Detector

The CHIPS R&D project aims to develop affordable water Cherenkov detectors for large-scale underwater installations. In 2019, a 5kt prototype detector CHIPS-5 was deployed in northern Minnesota to study neutrinos generated by the nearby NuMI beam. This contribution presents a dedicated low-latency time distribution system for CHIPS-5 that delivers timing signals from the Fermilab accelerator to the detector with sub-nanosecond precision. Exploiting existing NOvA infrastructure, the time distribution system achieves this only with open-source software and conventional network elements. In a time-of-flight study, the presented system has reliably offered a time budget of $610 \pm 330\text{ ms}$ for on-site triggering. This permits advanced analysis in real-time as well as a novel hardware-assisted active triggering mode, which reduces DAQ computing load and network bandwidth outside triggered time windows.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Soil microbial ecology and microbiome-metabolite linkages improve understanding of ecosystem states along terrestrial-aquatic interfaces

These data are from Bandopadhyay et al., "Soil microbial ecology and microbiome-metabolite linkages improve understanding of ecosystem states along terrestrial-aquatic interfaces". This study aims to understand the soil microbial ecology along terrestrial-aquatic interfaces of a freshwater and estuarine region and how it relates to organic matter. We analyzed soil microbial (16S rRNA gene) and organic matter (Fourier-transform ion cyclotron resonance mass spectrometry, FTICR-MS) composition from upland (forested), transition (stressed forest), and wetland positions at three sites in each of the Lake Erie (freshwater) and Chesapeake Bay (estuarine) regions. This dataset includes 16S rRNA gene amplicon data (only processed file types included here) and organic matter composition from FTICR-MS data (raw and processed files included here) from upland (forested), transition (stressed forest), and wetland positions at three sites in each of the Lake Erie and Chesapeake Bay regions. These sites are part of the COMPASS-FME project (https://compass.pnnl.gov/FME/COMPASSFME). File formats and software needed to access files: 16S rRNA gene amplicon data: These files follow the format reported here https://ess-dive.gitbook.io/amplicon-sequencing-reporting-format#updates-in-v1.0.1. As per this format, there are four file types reported: 1. Taxon tables (also called sequence-by-sample or OTU (operational taxonomic unit)/ESV (exact sequence variant) tables) : available in a .txt file format and accessible using TextEdit or MS Excel. 2. Representative sequences (also called consensus sequences) : available in a .fasta format and accessible using TextEdit. 3. Sequencing metadata : available in a MS Excel workbook file format and CSV file format 4. Bioinformatic metadata : available in a MS Excel workbook file format and CSV file format FTICR-MS data: 1. Raw data converted to a processed file with intensities of the peaks in the given samples : available in a MS Excel CSV file format 2. Processed file used in analyses and visualizations (appended as icr_long_) : available in a MS Excel CSV file format 3. Metadata file for ICR features (appended as icr_meta) : available in a MS Excel CSV file format

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2004

GRIDVIEW: Recent Improvements in Research and Education Software for Exploring Mars Topography

GRIDVIEW is being developed by the GEODYNAMICS Branch at NASA's Goddard Space Flight Center and can be downloaded on the web at http://geodynamics.gsfc.nasa.gov/gridview/. The program is very mature and has been successfully used for more than four years, but is still under development as we add new features for data analysis and visualization. The software can run on any computer supported by the IDL virtual machine application supplied by RSI. The virtual machine application is currently available for recent versions of MS Windows, MacOS X, Red Hat Linux and UNIX. Minimum system memory requirement is 32 MB, however loading large data sets may require larger amounts of RAM to function adequately.

Roark, J. H.↗

DOE OSTI2025

Refining PeakDecoder Version 2

Novel computational tools for processing multidimensional mass spectrometry (MS) data are necessary to enable deeper and automated detection and quantification of metabolites in complex backgrounds. Multidimensional MS data includes measurements from liquid chromatography (LC) and ion mobility spectrometry (IM) separations, and precursor and fragment ion spectra collected in data-independent acquisition (DIA) mode. PeakDecoder is an artificial intelligence (AI)-based software that enables automated interpretation of this kind of data to identify and quantify individual metabolites in complex mixtures. The goal of this project was to improve and re-implement PeakDecoder in a better suited programming language to enable its commercialization.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Advances in High-rate Delay Tolerant Networking On-board the International Space Station

The High-rate Delay Tolerant Networking (HDTN) project at the NASA John H. Glenn Research Center (GRC) is developing a performance optimized Delay Tolerant Networking (DTN) implementation which is able to provide reliable multigigabit per second automated network communications for near-Earth and deep space missions. To that end, this paper provides an overview of the testing and integration efforts culminating in a high-rate DTN demonstration onboard the International Space Station (ISS). Over several years, the HDTN team has performed a series of end-to-end tests between the Software Development and Integration Laboratory (SDIL) at the Lyndon B. Johnson Space Center (JSC) and Marshall Space Flight Center’s Huntsville Operations Support Center (HOSC). The testing has focused on a realistic emulation of the ISS Ku-band RF link, which operates at a maximum of 500 Mbps downlink with a 600 ms round-trip time. In this environment, the HDTN onboard gateway has been tested for interoperability with ISS payload nodes and the DTN ground gateway, store and forward capability, reliable transport using the Licklider Transmission Protocol (LTP), and successful recovery from unexpected loss of signal. In addition to integration testing, HDTN has developed a series of software engineering practices to ensure the stability and maturity of the implementation. As the result, HDTN has successfully demonstrated high-rate DTN services onboard the ISS. This paper concludes with a summary of preliminary flight testing results from the Integrated LCRD LEO User Modem and Amplifier Terminal networking experiments.

Delay tolerant networking↗

DOE OSTI2022

Autonomous continuous flow reactor synthesis for scalable atom-precision

With new instrumentation design, robotics, and in-operando hyphenated analytical tool automation, the intelligent discovery of synthesis pathways is becoming feasible. It can potentially bridge the gap for the scale-up of new materials. In this article, we review current progress and describe a new system that uses an autonomous continuous flow chemistry framework to translate high-quality lead molecules and materials to quantities that can meet scalability demands. At the core is a continuous flow synthesis platform that can design its viable synthesis pathway to a particular molecule or material and then autonomously carry it out. This is realized by integrating: (1) A workflow/architecture for multimode chemical/materials characterization in-line. The in-line characterization modes are NMR, ESR, IR, Raman, UV-Vis, GC-MS, and HPLC, along with ex-situ modes for X-Ray and neutron scattering; (2) Integration for feedback/analysis/data storage of the control variables; (3) A core software stack that includes deep learning and reinforcement learning alongside quantum chemistry and molecular dynamics; (4) On-demand compute architectures that parse calculations to compute resources needed which include light-weight edge, mid-level edge (NVIDA DGX-2), and high-performance computing. We demonstrate preliminary results on how this autonomous reactor system can enhance our ability to deliver deuterated materials, copolymers, and site-substituted molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Neural Networks-Based Inverter Control: Modeling and Adaptive Optimization for Smart Distribution Networks

The optimal voltage control of inverter-based resources, especially under the high penetration of solar photovoltaics, is critical to the stability of the distribution power system. However, the computational complexity as well as the coordinated operation performance of the voltage control optimization in the distribution power system limits the real-time applications. To mitigate this issue, a model-free based adaptive optimal control scheme for the smart inverter is proposed to maximize the active power generation, minimize the power loss, and maintain the bus voltages in smart distribution networks. An inverter-based optimization model for coordinated operation is first established, considering the uncertainties of renewable power generation. Subsequently, by collecting the data and control strategies, the neural networks (NNs) based algorithm is proposed to efficiently predict the best possible control strategy. The main objective of this scheme is to accurately predict candidate optimal solutions with near-negligible feasibility and optimization gaps, with the advantage of avoiding complicated iteration-based numerical algorithms. Thereafter, the co-simulation among OpenDSS, MATLAB, and Python is set up to fully take advantage of the three individual software. Experiments are conducted based on different control parameter characteristics and structures of NNs. Finally, the results reveal that an average mean squared error of 0.013 and 1 ms response time are achieved, which is lower than some state-of-the-art methods.

42 ENGINEERING↗

NASA NTRS1993

FASTER - A tool for DSN forecasting and scheduling

FASTER (Forecasting And Scheduling Tool for Earth-based Resources) is a suite of tools designed for forecasting and scheduling JPL's Deep Space Network (DSN). The DSN is a set of antennas and other associated resources that must be scheduled for satellite communications, astronomy, maintenance, and testing. FASTER consists of MS-Windows based programs that replace two existing programs (RALPH and PC4CAST). FASTER was designed to be more flexible, maintainable, and user friendly. FASTER makes heavy use of commercial software to allow for customization by users. FASTER implements scheduling as a two pass process: the first pass calculates a predictive profile of resource utilization; the second pass uses this information to calculate a cost function used in a dynamic programming optimization step. This information allows the scheduler to 'look ahead' at activities that are not as yet scheduled. FASTER has succeeded in allowing wider access to data and tools, reducing the amount of effort expended and increasing the quality of analysis.

Werntz, David↗

NASA NTRS2004

Combustion Branch Website Development

The NASA combustion branch is a leader in developing and applying combustion science to focused aerospace propulsion systems concepts. It is widely recognized for unique facilities, analytical tools, and personnel. In order to better communicate the outstanding research being done in this Branch to the public and other research organization, a more substantial website was desired. The objective of this project was to build an up-to-date site that reflects current research in a usable and attractive manner. In order to accomplish this, information was requested from all researchers in the Combustion branch, on their professional skills and on the current projects. This information was used to fill in the Personnel and Research sections of the website. A digital camera was used to photograph all personnel and these photographs were included in the personnel section as well. The design of the site was implemented using the latest web standards: xhtml and external css stylesheets. This implementation conforms to the guidelines recommended by the w3c. It also helps to ensure that the web site is accessible by disabled users, and complies with Section 508 Federal legislation (which mandates that all Federal websites be accessible). Graphics for the new site were generated using the gimp (www.gimp.org) an open-source graphics program similar to Adobe Photoshop. Also, all graphics on the site were of a reasonable size (less than 20k, most less than 2k) so that the page would load quickly. Technologies such as Macromedia Flash and Javascript were avoided, as these only function on some clients which have the proper software installed or enabled. The website was tested on different platforms with many different browsers to ensure there were no compatibility issues. The website was tested on windows with MS IE 6, MSIE 5 , Netscape 7, Mozilla and Opera. On a Mac, the site was tested with MS IE 5 , Netscape 7 and Safari.

Bishop, Eric↗

NASA NTRS1993

FASTER -- A Tool for DSN Forecasting and Scheduling

FASTER (Forecasting And Scheduling Tool for Earth-based Resources) is a suite of tools designed for forecasting and scheduling of JPL's DSN. The DSN is a set of antennas and other associated resources that must be scheduled for satellite communications, astronomy, maintenance, and testing. FASTER is a MS-Windows based program that replaces two existing programs (RALPH and PC4CAST). FASTER was designed to be more flexible, maintainable, and user friendly. FASTER makes heavy use of commercial software to allow for customization by users. FASTER implements scheduling as a two pass process: the first pass calculates a predictive profile of resource utilization; the second pass uses this information to calculate a cost function used in a dynamic programming optimization step. This information allows the scheduler to "look ahead" at activities that are not as yet scheduled. FASTER has succeeded in allowing wider access to data and tools, reducing the amount of effort expended and increasing the quality of analysis.

forecasting↗

NASA NTRS2018

Smartphone scene generator for efficient characterization of visible imaging detectors

Full characterization of imaging detectors involves subjecting them to spatially and temporally varying illumination patterns over a large dynamic range. Here we present a scene generator that fulﬁlls many of these functions. Based on a modern smartphone, it has a number of good features, including high spatial resolution (13 um), high dynamic range (∼104), near-Poisson limited illumination stability over time periods from 100 ms to many days, and no background noise. The system does not require any moving parts and may be constructed at modest cost. We present the optical, mechanical, and software design, test data validating the performance, and application examples.

Demers, Richard T.↗

DOE OSTI2025

PPI DataHub Project Data Package: S. elongatus PCC 7942 Limited Proteolysis and Thermal Proteome Profiling Structural Proteomics (JM-PB-DP3)

The purpose of this experiment was to investigate structural alterations in proteins involved in central carbon metabolism and photosynthetic electron transfer pathways in Synechococcus elongatus PCC 7942. Sample data was obtained from S. elongatus cell lysates using three complementary mass spectrometry (MS) techniques using limited proteolysis (LiP-MS), thermal proteome profiling (TPP-MS), and redox enrichment (Redox-MS) in evaluating alterations solvent accessibility and structural stability caused by light perturbation at the molecular level. Experimentally processed sample data for LiP and TPP proteomic datasets were derived from the same cell culture stock, prepared simultaneously in parallel, and acquired by mass spectrometry. Processed datasets are openly accessible from the download button and contain secondary processed proteomic results files, computed outputs, and supporting metadata materials. Experimental samples processed for LiP-MS label-free quantification (LFQ) or TPP-MS tandem mass tag (TMT) 10-plex were acquired using a Q-Exactive HF-X mass spectrometer and processed/compiled using either MSGF+ (v2024.03.26) or PlexedPiper for proteome evaluation. Additional software supporting downstream proteomic analysis include FragPipe (v.4.0), MSFragger (v.22.1), and an adapted Microbial Isolate LiP Analysis Workflow (located at Zenodo). Processed proteomic data downloads include a sample naming key, normalized quantification results files, and processed protein annotated abundance files.

59 BASIC BIOLOGICAL SCIENCES↗