title: An efficient TOF-SIMS image analysis with spatial correlation and alternating non-negativity-constrained least squares.
abstract: BACKGROUND
  Advances in analytical instrumentation towards acquiring high-resolution images of mass spectrometry constantly demand efficient approaches for data analysis. This is particularly true of time-of-flight secondary ion mass spectrometry imaging where recent advances enable acquisition of high-resolution data in multiple dimensions. In many applications, the distribution of different species from a sampled surface is spatially continuous in nature and a model that incorporates the spatial correlation across the surface would be preferable to estimations at discrete spatial locations. A key challenge here is the capability to analyse the high-resolution multidimensional data to extract relevant information reliably and efficiently.
  
  
  RESULTS
  We propose a framework based on alternating non-negativity-constrained least squares which accounts for the spatial correlation across the sample surface. The proposed method also decouples the computational complexity of the estimation procedure from the image resolution, which significantly reduces the processing time. We evaluate the performance of the algorithm with biochemical image datasets generated from mixture of metabolites.
authors.affiliation: Department of Automatic Control and Systems Engineering and Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK.
authors.forename: Parham
authors.initials: P
authors.lastname: Aram
authors.affiliation: Department of Automatic Control and Systems Engineering and Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK.
authors.forename: Lingli
authors.initials: L
authors.lastname: Shen
authors.affiliation: Department of Automatic Control and Systems Engineering and Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK.
authors.forename: John A
authors.initials: JA
authors.lastname: Pugh
authors.affiliation: Department of Automatic Control and Systems Engineering and Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK.
authors.forename: Seetharaman
authors.initials: S
authors.lastname: Vaidyanathan
authors.affiliation: Department of Automatic Control and Systems Engineering and Department of Chemical and Biological Engineering, University of Sheffield, Sheffield, UK.
authors.forename: Visakan
authors.initials: V
authors.lastname: Kadirkamanathan
mesh_terms: D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D006801:Humans; D007091:Image Processing, Computer-Assisted / Q000379:methods*; D016018:Least-Squares Analysis; D055432:Metabolomics / Q000379:methods*; D018629:Spectrometry, Mass, Secondary Ion / Q000379:methods*