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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.

Authors

David J. Scurr

Andrew L. Hook

Jonathan Burley

Philip M. Williams

Daniel G. Anderson

Robert Langer

Martyn C. Davies

Morgan R. Alexander Morgan.Alexander@nottingham.ac.uk

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’)

Journal Article Type Article
Publication Date May 22, 2012
Journal Surface and Interface Analysis
Print ISSN 0142-2421
Electronic ISSN 0142-2421
Publisher Wiley
Peer Reviewed Peer Reviewed
Volume 45
Issue 1
Institution 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), doi:10.1002/sia.5040
DOI https://doi.org/10.1002/sia.5040
Keywords Time-of-flight secondary ion mass spectrometry, Multivariate curve resolution, Microarray, High-performance computing
Publisher URL http://onlinelibrary.wiley.com/doi/10.1002/sia.5040/full
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0
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.wi...i/10.1002/sia.5040/full

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0




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