Rapid QC-MS: Interactive Dashboard for Synchronous Mass Spectrometry Data Acquisition Quality Control Article Swipe
YOU?
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· 2024
· Open Access
·
· DOI: https://doi.org/10.1021/acs.analchem.4c00786
Consistently collecting high-quality liquid chromatography-coupled tandem mass spectrometry (LC-MS/MS) data is a time-consuming hurdle for untargeted workflows. Analytical controls such as internal and biological standards are commonly included in high-throughput workflows, helping researchers recognize low-integrity specimens regardless of their biological source. However, evaluating these standards as data are collected has remained a considerable bottleneck─in both person-hours and accuracy. Here we present Rapid QC-MS, an automated, interactive dashboard for assessing LC-MS/MS data quality. Minutes after a new data file is written, a browser-viewable dashboard is updated with quality control results spanning multiple performance dimensions such as instrument sensitivity, in-run retention time shifts, and mass accuracy drift. Rapid QC-MS provides interactive visualizations that help users recognize acute deviations in these performance metrics, as well as gradual drifts over periods of hours, days, months, or years. Rapid QC-MS is open-source, simple to install, and highly configurable. By integrating open-source Python libraries and widely used MS analysis software, it can adapt to any LC-MS/MS workflow. Rapid QC-MS runs locally and offers optional remote quality control by syncing with Google Drive. Furthermore, Rapid QC-MS can operate in a semiautonomous fashion, alerting users to specimens with potentially poor analytical integrity via frequently used messaging applications. Initially developed for integration with Thermo Orbitrap workflows, Rapid QC-MS offers a fast, straightforward approach to help users collect high-quality untargeted LC-MS/MS data by eliminating many of the most time-consuming steps in manual data curation. Download for free: https://github.com/czbiohub-sf/Rapid-QC-MS.
Related Topics
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.analchem.4c00786
- OA Status
- green
- Cited By
- 5
- References
- 24
- Related Works
- 10
- OpenAlex ID
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Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4403750631Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.analchem.4c00786Digital Object Identifier
- Title
-
Rapid QC-MS: Interactive Dashboard for Synchronous Mass Spectrometry Data Acquisition Quality ControlWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-10-25Full publication date if available
- Authors
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Wasim Sandhu, Ira J. Gray, Sarah Lin, Joshua E. Elias, Brian C. DeFeliceList of authors in order
- Landing page
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https://doi.org/10.1021/acs.analchem.4c00786Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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greenOpen access status per OpenAlex
- OA URL
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https://www.ncbi.nlm.nih.gov/pmc/articles/11541893Direct OA link when available
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Chemistry, Dashboard, Mass spectrometry, Data quality, Quality (philosophy), Data acquisition, Database, Chromatography, Computer science, Operating system, Metric (unit), Philosophy, Economics, Operations management, EpistemologyTop concepts (fields/topics) attached by OpenAlex
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5Total citation count in OpenAlex
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2025: 3, 2024: 2Per-year citation counts (last 5 years)
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24Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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