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MOESIopt:一个集成的计算框架,用于自动恢复亚最佳质谱和光学发射谱图像

Haonan Mi¹, Shichao Wei¹, Xiujun Fu¹

¹School of Pharmacy, Qingdao University Medical College, Qingdao 266071, China.

Analytical chemistry

|February 19, 2026

概括

MOESIopt是一个新的计算框架,可以自动增强亚最佳质谱成像 (MSI) 和光辐射谱成像 (OESI) 数据. 这种开源工具可以在没有硬件更改的情况下提高图像质量,使化学成像更容易获得.

科学领域:

分析化学分析化学
频谱学是一种光谱学.
影像成像技术影像成像技术

背景情况:

质谱成像 (MSI) 和光辐射谱成像 (OESI) 是用于分子和元素映射的无标签技术.
像不对齐,条纹和噪音这样的图像工件会降低数据质量和解释.
目前的解决方案涉及昂贵的硬件升级或手动处理,限制了可扩展性.

研究的目的:

引入MOESIopt,这是一个用于自动恢复低于最佳的MSI和OESI图像的计算框架.
提供可扩展和可访问的解决方案,无需硬件修改或光学引用.
提高化学成像数据的清晰度和结构一致性.

主要方法:

开发MOESIopt,一个模块化计算框架与定制算法.
算法包括低频/高频分离,像素对齐,破坏,尾巴纠正和自适应过.
支持常见的数据格式 (TXT,CSV) 和一个用户友好的图形界面.

主要成果:

在各种数据集 (LA-DBD-OESI/MSI,IR-MALDESI,nano-DESI) 中显著提高了图像清晰度和结构一致性.
成功地自动恢复了低于最佳的MS和OES图像.
在各种成像平台上验证了有效性.

结论:

MOESIopt提供了一种多功能,开源的解决方案,用于提高MSI和OESI数据质量.
该框架自动化了图像恢复,提高了可复制性和可访问性.
提供高质量的化学成像,无需昂贵的硬件或手动干预.

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