BI
Specialized lipidomics analysis for lipid identification, quantification, and pathway interpretation. Covers LC-MS lipid…
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数据与复现
BI
bio-metabolomics-msdial-preprocessing
维护者 FreedomIntelligence · 最近更新 2026年4月1日
MS-DIAL-based metabolomics preprocessing as alternative to XCMS. Covers peak detection, alignment, annotation, and export for downstream analysis. Use when processing MS-DIAL output files for R/Python analysis or when preferring GUI-based preprocessing.
原始来源
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/bio-metabolomics-msdial-preprocessing
- 维护者
- FreedomIntelligence
- 许可
- MIT
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- CLI：MS-DIAL GUI 或 console mode ，用于 peak picking 、 alignment。
- Process my LC-MS data ，支持 MS-DIAL" → Detect chromatographic peaks，align across samples，annotate metabolites，、 export feature table ，用于 统计分析. CLI：MS-DIAL GUI 或 console mode ，用于 peak picking 、 alignment。
- msdial_data <- read.csv('msdial_alignment_result.csv'，check.names = FALSE)。
原始文档
SKILL.md 摘录
MS-DIAL GUI Workflow
MS-DIAL provides a user-friendly GUI for complete metabolomics preprocessing:
- Project Setup - Create new project, select data type
- Data Import - Load mzML/ABF files
- Peak Detection - Automatic peak picking
- Alignment - Cross-sample alignment
- Gap Filling - Fill missing values
- Annotation - Database matching
- Export - Export for downstream analysis
Identify sample columns (contain "Area" or sample names)
sample_cols <- grep('Area$|^Sample', colnames(msdial_data), value = TRUE) meta_cols <- setdiff(colnames(msdial_data), sample_cols)
Extract feature metadata
feature_info <- msdial_data[, meta_cols]
适用场景
- 适合在processing MS-DIAL output files ，用于 R/Python analysis 或 when preferring GUI-based preprocessing时使用。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
上游相关技能
- xcms-preprocessing - Alternative preprocessing with XCMS
- metabolite-annotation - Additional annotation methods
- normalization-qc - Detailed normalization approaches
- lipidomics - Lipid-specific MS-DIAL workflows
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