Scholarlink

<p>Shinyscreen is an R package and Shiny-based web application designed for the exploration, visualization, and quality assessment of raw data from high resolution mass spectrometry instruments. Its versatile list-based approach supports the curation of data starting from either known or “suspected” compounds (compound list-based screening) or detected masses (mass list-based screening), making it adaptable to diverse analytical needs (target, suspect or non-target screening). Shinyscreen can be operated in multiple modes, including as an R package, an interactive command-line tool, a self-documented web GUI, or a network-deployable service. Shinyscreen has been applied in environmental research, database enrichment, and educational initiatives, showcasing its broad utility. Shinyscreen is available in GitLab (<a href="https://gitlab.com/uniluxembourg/lcsb/eci/shinyscreen">https://gitlab.com/uniluxembourg/lcsb/eci/shinyscreen</a>) under the Apache License 2.0. The repository contains detailed instructions for deployment and use. Additionally, a pre-configured Docker image, designed for seamless installation and operation is available, with instructions also provided in the main repository. <b>Scientific Contribution</b>: Shinyscreen is a fully open source prescreening application to assist analysts in the high throughput quality control of the thousands of peaks detected in high resolution mass spectrometry experiments. As a vendor-independent, cross operating system application it covers an important niche in open mass spectrometry workflows. Shinyscreen supports quality control of data for further identification or upload of spectra to public data resources, as well as teaching efforts to educate students on the importance of data quality control and rigorous identification methods.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Shinyscreen: mass spectrometry data inspection and quality checking utility

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年6月20日

查看全文
  • Todor Kondić,
  • Anjana Elapavalore,
  • Jessy Krier,
  • Adelene Lai,
  • Hiba Mohammed Taha,
  • Mira Narayanan,
  • Emma L. Schymanski

摘要

Shinyscreen is an R package and Shiny-based web application designed for the exploration, visualization, and quality assessment of raw data from high resolution mass spectrometry instruments. Its versatile list-based approach supports the curation of data starting from either known or “suspected” compounds (compound list-based screening) or detected masses (mass list-based screening), making it adaptable to diverse analytical needs (target, suspect or non-target screening). Shinyscreen can be operated in multiple modes, including as an R package, an interactive command-line tool, a self-documented web GUI, or a network-deployable service. Shinyscreen has been applied in environmental research, database enrichment, and educational initiatives, showcasing its broad utility. Shinyscreen is available in GitLab (https://gitlab.com/uniluxembourg/lcsb/eci/shinyscreen) under the Apache License 2.0. The repository contains detailed instructions for deployment and use. Additionally, a pre-configured Docker image, designed for seamless installation and operation is available, with instructions also provided in the main repository. Scientific Contribution: Shinyscreen is a fully open source prescreening application to assist analysts in the high throughput quality control of the thousands of peaks detected in high resolution mass spectrometry experiments. As a vendor-independent, cross operating system application it covers an important niche in open mass spectrometry workflows. Shinyscreen supports quality control of data for further identification or upload of spectra to public data resources, as well as teaching efforts to educate students on the importance of data quality control and rigorous identification methods.