DDA and DIA data for ViMMS 2.0

1382 20 5592 2 29564 document 5592 mzML.zip application/zip 887650ed8182a09def3e1c204960afb9 MD5 2615726243 2022-12-15 12:10:09 https://researchdata.gla.ac.uk/1382/1/mzML.zip 1382 1 1 application/zip Text en public cc_by_4

mzML.zip

data 5593 2 29566 document 5593 README.md text/plain d909e1708591fd9423cb020b213939fb MD5 2106 2022-12-15 12:11:12 https://researchdata.gla.ac.uk/1382/2/README.md 1382 2 2 text/plain Text en public cc_by_4

README.md

readme archive 5 disk0/00/00/13/82 2022-12-15 12:13:35 2023-07-04 08:46:31 2022-12-15 12:13:35 data_collection show Wandy Joe 36328 0000-0002-3068-4664 McBride Ross 61963 Weidt Stefan 28509 Rogers Simon 11628 0000-0003-3578-4477 Terzis Nikolaos van der Hooft Justin J. J. 29760 Bryson Kevin 61566 0000-0002-1163-6368 Daly Ronan 11000 0000-0002-1275-6820 Davies Vinny 38634 0000-0003-1896-8936 glaresearchdata:2022-12-15-1382 DDA and DIA data for ViMMS 2.0 pub 20000000 30200000 30500000 Funding also acknowledged from University of Glasgow Reinvigorating Research Grant This dataset contains the mzML files produced from liquid chromatography tandem mass spectrometry (LC-MS/MS) measurements of 6 beer samples. Data acquisition was performed using newly developed Data-Dependent Acquisition (DDA) and Data-Independent Acquisition (DIA) controllers in the ViMMS 2.0 framework. For DDA this includes the fullscan, Top-N and all methods introduced in the TopNEXt paper. For DIA this includes the AIF and SWATH methods. 2022-12-15 published University of Glasgow 10.5525/gla.researchdata.1382 Text University of Glasgow 300982 Exploiting Closed-Loop Aspects in Computationally and Data Intensive Analytics Roderick Murray-Smith Engineering and Physical Sciences Research Council (EPSRC) EP/R018634/1 Computing Science FALSE EN 2022-07-05 2022-07-29 2032-12-15 R file_transfer FALSE FALSE Simulated-to-real benchmarking of acquisition methods in untargeted metabolomics https://eprints.gla.ac.uk/id/eprint/292946 TopNEXt: automatic DDA exclusion framework for multi-sample mass spectrometry experiments https://eprints.gla.ac.uk/id/eprint/301638