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Detailed Investigation and Comparison of the XCMS and MZmine 2 Chromatogram Construction and Chromatographic Peak Detection Methods for Preprocessing Mass Spectrometry Metabolomics Data.
Anal Chem. 2017 Sep 5;89(17):8689-8695. doi: 10.1021/acs.analchem.7b01069. Epub 2017 Aug 17.
Anal Chem. 2017.
PMID: 28752757
One Step Forward for Reducing False Positive and False Negative Compound Identifications from Mass Spectrometry Metabolomics Data: New Algorithms for Constructing Extracted Ion Chromatograms and Detecting Chromatographic Peaks.
Myers OD, Sumner SJ, Li S, Barnes S, Du X.
Myers OD, et al.
Anal Chem. 2017 Sep 5;89(17):8696-8703. doi: 10.1021/acs.analchem.7b00947. Epub 2017 Aug 17.
Anal Chem. 2017.
PMID: 28752754
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Integrative analysis of multimodal mass spectrometry data in MZmine 3.
Schmid R, Heuckeroth S, Korf A, Smirnov A, Myers O, Dyrlund TS, Bushuiev R, Murray KJ, Hoffmann N, Lu M, Sarvepalli A, Zhang Z, Fleischauer M, Dührkop K, Wesner M, Hoogstra SJ, Rudt E, Mokshyna O, Brungs C, Ponomarov K, Mutabdžija L, Damiani T, Pudney CJ, Earll M, Helmer PO, Fallon TR, Schulze T, Rivas-Ubach A, Bilbao A, Richter H, Nothias LF, Wang M, Orešič M, Weng JK, Böcker S, Jeibmann A, Hayen H, Karst U, Dorrestein PC, Petras D, Du X, Pluskal T.
Schmid R, et al.
Nat Biotechnol. 2023 Apr;41(4):447-449. doi: 10.1038/s41587-023-01690-2.
Nat Biotechnol. 2023.
PMID: 36859716
Free PMC article.
No abstract available.
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