ScaleBarOn和Muad'Data:用于元素成像数据可视化和比较缩放的简单Python工具。

IF 3.3 2区 化学 Q2 CHEMISTRY, ANALYTICAL
Journal of Analytical Atomic Spectrometry Pub Date : 2026-08-15 eCollection Date: 2026-10-07 DOI:10.1039/d6ja00067c
Tracy Punshon, Brian P Jackson, Joshua Levy
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引用次数: 0

摘要

元素成像(EI)技术,如激光烧蚀电感耦合等离子体飞行时间质谱(LA-ICP-TOF-MS),产生空间分辨的元素数据,包括多个元素通道和每个像素的相关空间坐标。虽然EI起源于地球化学,但它越来越多地应用于生命科学,在生命科学中,个体元素的标本间比较是实验解释的核心。然而,现有的大多数EI可视化软件工具都是针对单个标本数据集设计的,标本间的对比分析耗时且效率低下。此外,大型LA-ICP-TOF-MS数据集通常有几gb大小,妨碍了多标本比较,并且减慢了数据加载和共享。在这里,我们描述了一个新的框架,用于跨多个标本的EI数据的可视化和比较,使用针对生物EI工作流程定制的开源Python工具实现。ScaleBarOn支持单个元素的缩放、多标本可视化和图像生成,而Muad'Data支持单标本探索,包括多元素叠加。为了减少计算负担和提高互操作性,多通道EI数据集被分解成单元素矩阵文件,以轻量级、广泛支持的格式存储。这可以实现跨大型生物数据集的元素分布的一致缩放和有效比较,支持可重复和可解释的分析。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
ScaleBarOn and Muad'Data: simple Python tools for elemental imaging data visualization and comparative scaling.

Elemental imaging (EI) techniques, such as laser ablation inductively coupled plasma time-of-flight mass spectrometry (LA-ICP-TOF-MS), produce spatially resolved elemental data comprising multiple elemental channels and associated spatial coordinates for each pixel. Although EI originated in geochemistry, it is increasingly applied in the life sciences, where between-specimen comparison of individual elements is central to experimental interpretation. However, most existing EI visualization software tools are designed for single specimen datasets, and comparative analysis between specimens is time-intensive and inefficient. In addition, large LA-ICP-TOF-MS datasets, often several gigabytes in size, hinder multi-specimen comparison, and slow data loading and sharing. Here, we describe a new framework for the visualization and comparison of EI data across multiple specimens, implemented using open-source Python tools tailored to biological EI workflows. ScaleBarOn enables scaled, multi-specimen visualization and image generation for individual elements, while Muad'Data supports single-specimen exploration, including multi-element overlays. To reduce computational burden and improve interoperability, multi-channel EI datasets are decomposed into single-element matrix files stored in lightweight, widely supported formats. This enables consistent scaling and efficient comparison of elemental distributions across large biological datasets, supporting reproducible and interpretable analysis.

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来源期刊
CiteScore
6.20
自引率
26.50%
发文量
228
审稿时长
1.7 months
期刊介绍: Innovative research on the fundamental theory and application of spectrometric techniques.
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