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Issue 15, 2012
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Automated correlation and classification of secondary ion mass spectrometry images using a k-means cluster method

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Abstract

We present a novel method for correlating and classifying ion-specific time-of-flight secondary ion mass spectrometry (ToF-SIMS) images within a multispectral dataset by grouping images with similar pixel intensity distributions. Binary centroid images are created by employing a k-means-based custom algorithm. Centroid images are compared to grayscale SIMS images using a newly developed correlation method that assigns the SIMS images to classes that have similar spatial (rather than spectral) patterns. Image features of both large and small spatial extent are identified without the need for image pre-processing, such as normalization or fixed-range mass-binning. A subsequent classification step tracks the class assignment of SIMS images over multiple iterations of increasing n classes per iteration, providing information about groups of images that have similar chemistry. Details are discussed while presenting data acquired with ToF-SIMS on a model sample of laser-printed inks. This approach can lead to the identification of distinct ion-specific chemistries for mass spectral imaging by ToF-SIMS, as well as matrix-assisted laser desorption ionization (MALDI), and desorption electrospray ionization (DESI).

Graphical abstract: Automated correlation and classification of secondary ion mass spectrometry images using a k-means cluster method

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Supplementary files

Article information


Submitted
17 Nov 2011
Accepted
11 Apr 2012
First published
08 May 2012

Analyst, 2012,137, 3479-3487
Article type
Paper

Automated correlation and classification of secondary ion mass spectrometry images using a k-means cluster method

A. R. Konicek, J. Lefman and C. Szakal, Analyst, 2012, 137, 3479
DOI: 10.1039/C2AN16122B

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