Published February 13, 2026 | Version 1.0.0
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Datoma - MTBLS2207 subset used for the MS2Xplorer workflow

Authors/Creators

  • 1. ROR icon Universidad Rovira i Virgili

Description

Files named NIST1950_pos_ID 1-4 were processed using the processMzml.Rmd script to generate the file clean_spectra.mzML, which was then processed through Datoma and yielded merged_result.csv.

Finally, this csv was processed with processDatomaOutput.Rmd, which resulted in the figures reported in the manuscript.

Files

merged_result.csv

Files (314.4 MB)

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md5:1ab68052d412aac95ea8be50ad53af5c
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md5:db60843fd7434172fd0e327842c649bf
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md5:0d6a76e70913b4fa7f4f76f7465b27ae
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