A UK-based ground truth data set of GCMS analysed ignitable liquid samples — a template for making chromatographic data accessible as an open source data set

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dc.contributorUniversity of Dundee
dc.contributorUniversity of Dundee
dc.contributorUniversiti Sains Malaysia
dc.contributorUniversity of Dundee
dc.contributor.authorMiller, Jonathan
dc.contributor.authorPuch-Solis, Roberto
dc.contributor.authorMat Desa, Wan Nur Syuhaila
dc.contributor.authorNic Daeid, Niamh
dc.date.accessioned2023-05-11T00:49:36Z
dc.date.available2023-05-11T00:49:36Z
dc.date.issued2022-10-12
dc.descriptionILs were purchased and collected from local Scottish retailers. All ILs were stored in pre-sealed or clean fuel containers and stored at room temperature in darkness. ILs were systematically evaporated to predetermined amounts. Mass spectrometry and chromatography information was extracted via standard GCMS techniques. Outputted data was programmatically engineered into accessible formats using open source software. Link to data: https://doi.org/10.15132/10000178
dc.description.abstractFire debris is often recovered as part of a fire scene investigation to determine whether an ignitable liquid might be present which may be evidence of a deliberate fire. The analysis of fire debris produces chromatograms that a forensic chemist uses to determine whether or not an ignitable liquid may be present. Currently there are very few publicly available data sets that can be used for training and statistical modelling in this area. The data set in this paper has been prepared with these two applications in mind and covers a wide range of ignitable liquids available in the UK. We created a data set of 35 ignitable liquids including petrol (gasoline), light, medium and heavy petroleum distillates (i.e diesel) from several retailers. Each ignitable liquid was systematically evaporated to produce six additional samples. Each sample was repetitively analysed to provide an overall data set of 751 analytical outputs (including chromatograms). Each data sample is expressed in multiple formats and the metadata containing any data used in the production of the samples is included. The folder and file names are designed to avoid misplacements and to manipulate folders and files systematically using computer code.
dc.identifier.doi10.1016/j.dib.2022.108670
dc.identifier.urihttps://doi.org/10.15132/10000178
dc.identifier.urihttps://opendata.usm.my/handle/123456789/74643
dc.publisherElsevier
dc.rightsCC0 1.0 Universal*
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/*
dc.titleA UK-based ground truth data set of GCMS analysed ignitable liquid samples — a template for making chromatographic data accessible as an open source data set
dc.typeDataset
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Biological, Chemical, and Mathematical Sciences