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bioRxiv · 10.1101/2025.05.09.653091

An All-In-One Software Solution for Automated Processing of LA-ICP-TOF-MS datasets

Crawford, A. M.·Zee, D. Z.·Jin, Q.·Sue, A.·Sinha, N.·Ahn, S. H.·MacRenaris, K. W.·O'Halloran, T.
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Abstract

LA-ICP-TOF-MS provides rapid, high resolution elemental analysis of biological and non-biological samples. However, accurate real-time data analysis frequently requires the user to account for several instrumental and experimental variables that can change during data acquisition. AutoSpect is a novel software tool designed to automate the processing and fitting of LA-ICP-TOF-MS data, addressing key challenges such as time-dependent spectral drift, instrument sensitivity drift calibration inaccuracies, and peak deconvolution, enabling researchers to rapidly and accurately process complex datasets. The tool is optimized to be robustly applicable across scientific fields (e.g., geochemistry, biology, and materials science), providing a streamlined solution for end users seeking to maximize the potential of LA-ICP-TOF-MS for high-resolution elemental mapping and isotopic analysis. Significance to JAASAnalysis of fast transient signals using laser ablation inductively coupled plasma time-of-flight mass spectrometry (LA-ICP-TOF-MS) has become mainstream for elemental mapping. Advancements in LA-ICP-TOF-MS technology continue to accelerate the collective understanding of the role inorganic chemistry plays in dynamic processes. To ensure accurate quantitative results, the vast amount of complex spectral data generated requires elegant solutions to perform a variety of functions including data partitioning, peak fitting, drift correction, mass-to-charge calibration, peak profiling, and spectral fitting. AutoSpect is an all-in-one software solution that provides high level automation with a user-friendly graphical interface to perform complex data analyses for ICP-TOF-MS datasets.

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Crawford, A. M., Zee, D. Z., Jin, Q., Sue, A., Sinha, N., Ahn, S. H., MacRenaris, K. W., O'Halloran, T.. 2025-05-12. An All-In-One Software Solution for Automated Processing of LA-ICP-TOF-MS datasets. https://doi.org/10.1101/2025.05.09.653091

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