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AutoSpect：一种用于自动处理LA-ICP-TOF-MS数据集的一体化软件解决方案。

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

作者信息

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

机构信息

Department of Microbiology, Genetics, Immunology, Michigan State University East Lansing MI USA

Department of Chemistry, Michigan State University East Lansing MI USA.

出版信息

J Anal At Spectrom. 2025 Jul 2;40(8):2162-2178. doi: 10.1039/d5ja00145e. eCollection 2025 Jul 30.

DOI:10.1039/d5ja00145e
PMID:40657301
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12243102/
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 (, 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.

摘要

激光烧蚀电感耦合等离子体质谱（LA-ICP-TOF-MS）可对生物和非生物样品进行快速、高分辨率的元素分析。然而，准确的实时数据分析常常要求用户考虑在数据采集过程中可能会发生变化的几个仪器和实验变量。AutoSpect是一款新颖的软件工具，旨在自动处理和拟合LA-ICP-TOF-MS数据，解决诸如随时间变化的光谱漂移、仪器灵敏度漂移、校准不准确以及峰去卷积等关键挑战，使研究人员能够快速、准确地处理复杂数据集。该工具经过优化，可在多个科学领域（地球化学、生物学和材料科学）稳健应用，为寻求充分发挥LA-ICP-TOF-MS在高分辨率元素绘图和同位素分析方面潜力的终端用户提供了简化的解决方案。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/732b3303ee6b/d5ja00145e-f9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/29e3b6b5b4fe/d5ja00145e-f1.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/316921231b1e/d5ja00145e-f8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/732b3303ee6b/d5ja00145e-f9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/29e3b6b5b4fe/d5ja00145e-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/e56dfd4cb26b/d5ja00145e-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/ee1b7d504161/d5ja00145e-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/ea745dd16d7f/d5ja00145e-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/de153ef3cc6f/d5ja00145e-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/c95a727ad748/d5ja00145e-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/d5467f93a429/d5ja00145e-f7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/316921231b1e/d5ja00145e-f8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/01cc/12243102/732b3303ee6b/d5ja00145e-f9.jpg

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