Wandy, J., van der Hooft, J. and Rogers, S. (2016) Ionisation Product Clustering to Improve Peak Alignment in LC-MS-based Metabolomics. [Data Collection]

Collection description

The entire collection consists of two metabolomics datasets, produced by running samples through liquid chromatography mass spectrometry instruments. The Standard dataset is generated from a mixture of 104 standard metabolites used for the calibration of chromatographic columns, and is available in 11 LC-MS runs. The Beer dataset is generated by sampling a bottle of ‘Seven Giraffes Extraordinary Ale’ and is available in 3 LC-MS runs.

Funding:	Wellcome Trust (WELLCOME) [097821/Z/11/B] Biotechnology and Biological Sciences Research Council (BBSRC) [BB/L018616/1]
College / School:	College of Science and Engineering > School of Computing Science
Date Deposited:	03 Nov 2016 16:45
URI:	https://researchdata.gla.ac.uk/id/eprint/292
Additional details Additional details Dataset URL: https://github.com/joewandy/precursor-alignment Type of data: Code, Software Date: 17 March 2016 Date type: Publication Resource language: en Status: Published Data Publisher: University of Glasgow Last Modified: 20 Feb 2019 15:50

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