Allison R Mason, Gregory Johnson, Joseph Krampen, Jennifer N T Nguyen, Marcy J Balunas, Patrick D Schloss
{"title":"mpactR: an R adaptation of the metabolomics peak analysis computational tool (MPACT) for use in reproducible data analysis pipelines.","authors":"Allison R Mason, Gregory Johnson, Joseph Krampen, Jennifer N T Nguyen, Marcy J Balunas, Patrick D Schloss","doi":"10.1128/mra.00997-24","DOIUrl":null,"url":null,"abstract":"<p><p>mpactR automates pre-processing of liquid chromatography-tandem mass spectrometry (LC-MS/MS) data from microbiological samples to correct mispicked peaks, resolve inter-sample variation in abundance across technical replicates, account for in-source ion fragmentation, and remove background noise to yield high-quality mass spectrometry features. The package is available through CRAN and GitHub.</p>","PeriodicalId":18654,"journal":{"name":"Microbiology Resource Announcements","volume":" ","pages":"e0099724"},"PeriodicalIF":0.7000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Microbiology Resource Announcements","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1128/mra.00997-24","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MICROBIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
mpactR automates pre-processing of liquid chromatography-tandem mass spectrometry (LC-MS/MS) data from microbiological samples to correct mispicked peaks, resolve inter-sample variation in abundance across technical replicates, account for in-source ion fragmentation, and remove background noise to yield high-quality mass spectrometry features. The package is available through CRAN and GitHub.