title: Hyperspectral visualization of mass spectrometry imaging data.
abstract: The acquisition of localized molecular spectra with mass spectrometry imaging (MSI) has a great, but as yet not fully realized, potential for biomedical diagnostics and research. The methodology generates a series of mass spectra from discrete sample locations, which is often analyzed by visually interpreting specifically selected images of individual masses. We developed an intuitive color-coding scheme based on hyperspectral imaging methods to generate a single overview image of this complex data set. The image color-coding is based on spectral characteristics, such that pixels with similar molecular profiles are displayed with similar colors. This visualization strategy was applied to results of principal component analysis, self-organizing maps and t-distributed stochastic neighbor embedding. Our approach for MSI data analysis, combining automated data processing, modeling and display, is user-friendly and allows both the spatial and molecular information to be visualized intuitively and effectively.
authors.affiliation: Biomolecular Medicine, Department of Surgery and Cancer, Imperial College London, South Kensington, London SW7 2AZ, United Kingdom.
authors.forename: Judith M
authors.initials: JM
authors.lastname: Fonville
authors.forename: Claire L
authors.initials: CL
authors.lastname: Carter
authors.forename: Luis
authors.initials: L
authors.lastname: Pizarro
authors.forename: Rory T
authors.initials: RT
authors.lastname: Steven
authors.forename: Andrew D
authors.initials: AD
authors.lastname: Palmer
authors.forename: Rian L
authors.initials: RL
authors.lastname: Griffiths
authors.forename: Patricia F
authors.initials: PF
authors.lastname: Lalor
authors.forename: John C
authors.initials: JC
authors.lastname: Lindon
authors.forename: Jeremy K
authors.initials: JK
authors.lastname: Nicholson
authors.forename: Elaine
authors.initials: E
authors.lastname: Holmes
authors.forename: Josephine
authors.initials: J
authors.lastname: Bunch
mesh_terms: D000818:Animals; D001921:Brain / Q000378:metabolism* / Q000473:pathology; D006801:Humans; D008099:Liver / Q000378:metabolism* / Q000473:pathology; D013058:Mass Spectrometry / Q000379:methods; D051381:Rats; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*