title: SpectralAnalysis: Software for the Masses.
abstract: The amount of data produced by spectral imaging techniques, such as mass spectrometry imaging, is rapidly increasing as technology and instrumentation advances. This, combined with an increasingly multimodal approach to analytical science, presents a significant challenge in the handling of large data from multiple sources. Here, we present software that can be used through the entire analysis workflow, from raw data through preprocessing (including a wide range of methods for smoothing, baseline correction, normalization, and image generation) to multivariate analysis (for example, memory efficient principal component analysis (PCA), non-negative matrix factorization (NMF), maximum autocorrelation factor (MAF), and probabilistic latent semantic analysis (PLSA)), for data sets acquired from single experiments to large multi-instrument, multimodality, and multicenter studies. SpectralAnalysis was also developed with extensibility in mind to stimulate development, comparisons, and evaluation of data analysis algorithms.
authors: National Centre of Excellence in Mass Spectrometry Imaging (NiCE-MSI), National Physical Laboratory , Teddington, TW11 0LW, United Kingdom.|PSIBS Doctoral Training Centre, School of Chemistry, University of Birmingham , Birmingham, B15 2TT, United Kingdom.
authors: Alan M
authors: AM
authors: Race
authors: PSIBS Doctoral Training Centre, School of Chemistry, University of Birmingham , Birmingham, B15 2TT, United Kingdom.|European Molecular Biology Laboratory , Meyerhofstrasse 1, Heidelberg, 69117, Germany.
authors: Andrew D
authors: AD
authors: Palmer
authors: National Centre of Excellence in Mass Spectrometry Imaging (NiCE-MSI), National Physical Laboratory , Teddington, TW11 0LW, United Kingdom.|PSIBS Doctoral Training Centre, School of Chemistry, University of Birmingham , Birmingham, B15 2TT, United Kingdom.
authors: Alex
authors: A
authors: Dexter
authors: National Centre of Excellence in Mass Spectrometry Imaging (NiCE-MSI), National Physical Laboratory , Teddington, TW11 0LW, United Kingdom.
authors: Rory T
authors: RT
authors: Steven
authors: PSIBS Doctoral Training Centre, School of Chemistry, University of Birmingham , Birmingham, B15 2TT, United Kingdom.|School of Computer Science, University of Birmingham , Birmingham, B15 2TT, United Kingdom.
authors: Iain B
authors: IB
authors: Styles
authors: National Centre of Excellence in Mass Spectrometry Imaging (NiCE-MSI), National Physical Laboratory , Teddington, TW11 0LW, United Kingdom.|School of Pharmacy, University of Nottingham , Nottingham, NG7 2RD, United Kingdom.
authors: Josephine
authors: J
authors: Bunch