AutoSpect: an all-in-one software solution for automated processing of LA-ICP-TOF-MS datasets†

IF 3.1 2区化学 Q2 CHEMISTRY, ANALYTICAL

Journal of Analytical Atomic Spectrometry Pub Date : 2025-07-02 DOI:10.1039/D5JA00145E

Andrew M. Crawford, David Z. Zee, Qiaoling Jin, Aaron Sue, Niharika Sinha, Soo Hyun Ahn, Thomas V. O'Halloran and Keith W. MacRenaris

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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.

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AutoSpect：用于自动处理LA-ICP-TOF-MS数据集的一体化软件解决方案。

LA-ICP-TOF-MS提供快速，高分辨率的生物和非生物样品元素分析。然而，准确的实时数据分析经常需要用户考虑在数据采集过程中可能发生变化的几个仪器和实验变量。AutoSpect是一种新颖的软件工具，旨在自动处理和拟合LA-ICP-TOF-MS数据，解决关键挑战，如随时间的光谱漂移，仪器灵敏度漂移，校准不准确性和峰值反褶积，使研究人员能够快速准确地处理复杂的数据集。该工具经过优化，可广泛应用于科学领域（例如，地球化学，生物学和材料科学），为寻求最大限度地发挥LA-ICP-TOF-MS在高分辨率元素制图和同位素分析方面的潜力的最终用户提供简化的解决方案。

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