Van Der Hooft, J. and Wandy, J. (2017) Unsupervised discovery and comparison of structural families across multiple samples in untargeted metabolomics. [Data Collection]

Collection description

The entire collection consists of two metabolomics datasets, produced by running samples through liquid chromatography mass spectrometry instruments. The Beer dataset is generated by sampling 18 bottles of beer resulting in 19 samples. The Urine dataset consists of 22 urine extracts of a Stroke patient cohort. All samples were measured using a pHILIC-MS platform and full scan and fragmentation experiments were acquired.

Funding:	Wellcome Trust (WELLCOME) [105614/Z/14/Z] Wellcome Trust (WELLCOME) [085349/B/08/Z] Biotechnology and Biological Sciences Research Council (BBSRC) [BB/L018616/1]
College / School:	College of Science and Engineering > School of Computing Science
Date Deposited:	13 Apr 2017 14:31
URI:	https://researchdata.gla.ac.uk/id/eprint/402
Additional details Additional details Type of data: Code, Spreadsheet, Text Collection period: From To 2016 2016 Temporal coverage: From To 2016 2016 Date: 16 June 2017 Date type: Publication Resource language: EN Status: Published Data Publisher: University of Glasgow Copyright holders: University of Glasgow Last Modified: 28 Jan 2019 11:02

Available Files

Data

Multifile_Beers ... aks_POSmode.csv Multifile_Beers ... aks_POSmode.csv Multifile_Beers ... aks_POSmode.csv Visible to: Anyone Content type: Data Metadata Revision: 3 Mime-Type: text/plain License: Creative Commons: Attribution-Share Alike 4.0 File size: 6MB

data_urines.zip data_urines.zip data_urines.zip Visible to: Anyone Content type: Data Metadata Revision: 3 Mime-Type: application/x-zip License: Creative Commons: Attribution-Share Alike 4.0 File size: 617MB

data_stool_samples.zip data_stool_samples.zip data_stool_samples.zip Visible to: Anyone Content type: Data Metadata Revision: 3 Mime-Type: application/x-zip License: Creative Commons: Attribution-Share Alike 4.0 File size: 490MB

data_beers.zip data_beers.zip data_beers.zip Visible to: Anyone Content type: Data Metadata Revision: 3 Mime-Type: application/x-zip License: Creative Commons: Attribution-Share Alike 4.0 File size: 593MB

codes.zip codes.zip codes.zip Visible to: Anyone Content type: Data Metadata Revision: 3 Mime-Type: application/x-zip License: Creative Commons: Attribution-Share Alike 4.0 File size: 129MB

Read me

README_codes.txt README_codes.txt README_codes.txt Visible to: Anyone Content type: Read me Metadata Revision: 3 Mime-Type: text/plain License: Creative Commons: Attribution-Share Alike 4.0 File size: 1kB

README_data.txt README_data.txt README_data.txt Visible to: Anyone Content type: Read me Metadata Revision: 3 Mime-Type: text/plain License: Creative Commons: Attribution-Share Alike 4.0 File size: 6kB

Repository Staff Only: Update this record