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Strategies for MCR image analysis of large hyperspectral data-sets

Scurr, David J.; Hook, Andrew L.; Burley, Jonathan; Williams, Philip M.; Anderson, Daniel G.; Langer, Robert; Davies, Martyn C.; Alexander, Morgan R.

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Authors

DAVID SCURR DAVID.SCURR@NOTTINGHAM.AC.UK
Principal Research Fellow

Andrew L. Hook

Philip M. Williams

Daniel G. Anderson

Robert Langer

Martyn C. Davies

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MORGAN ALEXANDER MORGAN.ALEXANDER@NOTTINGHAM.AC.UK
Professor of Biomedical Surfaces



Abstract

Polymer microarrays are a key enabling technology for high throughput materials discovery. In this study, multivariate image analysis, specifically multivariate curve resolution (MCR), is applied to the hyperspectral time of flight secondary ion mass spectroscopy (ToF-SIMS) data from eight individual microarray spots. Rather than analysing the data individually, the data-sets are collated and analysed as a single large data-set. Desktop computing is not a practical method for undertaking MCR analysis of such large data-sets due to the constraints of memory and computational overhead. Here, a distributed memory High-Performance Computing facility (HPC) is used. Similar to what is achieved using MCR analysis of individual samples, the results from this consolidated data-set allow clear identification of the substrate material; furthermore, specific chemistries common to different spots are also identified. The application of the HPC facility to the MCR analysis of ToF-SIMS hyperspectral data-sets demonstrates a potential methodology for the analysis of macro-scale data without compromising spatial resolution (data ‘binning’)

Citation

Scurr, D. J., Hook, A. L., Burley, J., Williams, P. M., Anderson, D. G., Langer, R., …Alexander, M. R. (2012). Strategies for MCR image analysis of large hyperspectral data-sets. Surface and Interface Analysis, 45(1), https://doi.org/10.1002/sia.5040

Journal Article Type Article
Publication Date May 22, 2012
Deposit Date May 12, 2014
Publicly Available Date Mar 29, 2024
Journal Surface and Interface Analysis
Print ISSN 0142-2421
Electronic ISSN 0142-2421
Publisher Wiley
Peer Reviewed Peer Reviewed
Volume 45
Issue 1
DOI https://doi.org/10.1002/sia.5040
Keywords Time-of-flight secondary ion mass spectrometry, Multivariate curve resolution, Microarray, High-performance computing
Public URL https://nottingham-repository.worktribe.com/output/710224
Publisher URL http://onlinelibrary.wiley.com/doi/10.1002/sia.5040/full
Additional Information This is the accepted version of the following article:
Scurr, D. J., Hook, A. L., Burley, J., Williams, P. M., Anderson, D. G., Langer, R., Davies, M. C. and Alexander, M. R. (2013), Strategies for MCR image analysis of large hyperspectral data-sets. Surf. Interface Anal., 45: 466–470. doi: 10.1002/sia.5040
which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/sia.5040/full

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