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A Data Set of 255,000 Randomly Selected and Manually Classified Extracted Ion Chromatograms for Evaluation of Peak Detection Methods
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/s00216-015-8681-7openalex-snapshot
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
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Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments
inferredcites →https://doi.org/10.1016/j.scitotenv.2020.138388openalex-snapshot
Unraveling longitudinal pollution patterns of organic micropollutants in a river by non-target screening and cluster analysis
inferredcites →https://doi.org/10.1021/ac051437yopenalex-snapshot
XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification
inferredcites →https://doi.org/10.1021/ac301482kopenalex-snapshot
Strategy for Optimizing LC-MS Data Processing in Metabolomics: A Design of Experiments Approach
inferredcites →https://doi.org/10.1186/1471-2105-11-395openalex-snapshot
MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
inferredcites →https://doi.org/10.1186/1471-2105-9-375openalex-snapshot
Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements
inferredcites →https://doi.org/10.1186/s12859-015-0562-8openalex-snapshot
IPO: a tool for automated optimization of XCMS parameters
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cbdv.202100272openalex-snapshot
Acetylated Rhamnose Triterpenoid Saponins from Glechoma longituba Analyzed by LC‐Q‐TOFMS
inferred← citeshttps://doi.org/10.1016/j.chemolab.2022.104694openalex-snapshot
Deep denoising autoencoder-assisted continuous scoring of peak quality in high-resolution LC−MS data
inferred← citeshttps://doi.org/10.1016/j.trac.2024.117674openalex-snapshot
Harmonized quality assurance/quality control provisions to assess completeness and robustness of MS1 data preprocessing for LC-HRMS-based suspect screening and non-targeted analysis
inferred← citeshttps://doi.org/10.1016/j.trac.2026.118964openalex-snapshot
Processing of non-targeted LC-HRMS data: Progress and challenges in automated data-driven optimisations
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c00899openalex-snapshot
Symbolic Aggregate Approximation Improves Gap Filling in High-Resolution Mass Spectrometry Data Processing
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04698openalex-snapshot
Recurrent Topics in Mass Spectrometry-Based Metabolomics and Lipidomics─Standardization, Coverage, and Throughput
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c05270openalex-snapshot
Power of mzRAPP-Based Performance Assessments in MS1-Based Nontargeted Feature Detection
inferred← citeshttps://doi.org/10.1039/d1ay00111fopenalex-snapshot
Suspect and non-target screening: the last frontier in environmental analysis
inferred← citeshttps://doi.org/10.1093/bioinformatics/btad195openalex-snapshot
3D-MSNet: a point cloud-based deep learning model for untargeted feature detection and quantification in profile LC-HRMS data
inferred← citeshttps://doi.org/10.1101/2021.09.09.459600openalex-snapshot
Benchmarking feature quality assurance strategies for non-targeted metabolomics
inferred← citeshttps://doi.org/10.1186/s12302-020-00415-5openalex-snapshot
Non-target screening for detecting the occurrence of plant metabolites in river waters
inferred← citeshttps://doi.org/10.1186/s12302-021-00464-4openalex-snapshot
Occurrence of plant secondary metabolite fingerprints in river waters from Eastern Jutland, Denmark
inferred← citeshttps://doi.org/10.1186/s12859-023-05533-4openalex-snapshot
Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
inferred← citeshttps://doi.org/10.14233/ajchem.2025.33771openalex-snapshot
Isolation of Chemical Compounds of Astragalus galactites from Mongolia
inferred← citeshttps://doi.org/10.21248/gups.61018openalex-snapshot
Analytical screening for possibly toxic plant secondary metabolites in surface waters by liquid chromatography coupled to high resolution mass spectrometry
inferred← citeshttps://doi.org/10.6084/m9.figshare.13049150openalex-snapshot
Additional file 2 of Non-target screening for detecting the occurrence of plant metabolites in river waters
inferred← citeshttps://doi.org/10.6084/m9.figshare.24452498openalex-snapshot
Additional file 1 of Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
inferred← citeshttps://doi.org/10.6084/m9.figshare.24452643openalex-snapshot
Additional file 2 of Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
inferred← citeshttps://doi.org/10.6084/m9.figshare.26633475openalex-snapshot
Additional file 3 of Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
inferred← citeshttps://doi.org/10.6084/m9.figshare.26633478openalex-snapshot
Additional file 4 of Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
inferred← citeshttps://doi.org/10.6084/m9.figshare.26633481openalex-snapshot
Additional file 5 of Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics
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