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nmr-metabolomics

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Process NMR data to quantify metabolites.

Education & Research#metabolomics#quantification#nmr#baseline-correction#nmrglue#speaq#peak-picking
Authordailycafi
Version1.0.0
Installs0

System Documentation

What problem does it solve?

Processing NMR metabolomics data from raw FID to quantified metabolite profiles can be complex and time-consuming, requiring multiple tools and careful data handling.

Core Features & Use Cases

  • Loading Bruker or JCAMP-DX data and converting to analysable spectra.
  • Phase and baseline correction, chemical shift referencing, and spectral binning for reliable quantification.
  • Peak picking, metabolite identification against HMDB/BMRB references, and optional 2D NMR confirmation (HSQC/TOCSY).
  • Quantification using internal standards and normalization methods (e.g., PQN) across samples.

Quick Start

Run the NMR metabolomics pipeline on your Bruker dataset to obtain a quantified metabolite profile.

Dependency Matrix

Required Modules

None required

Components

Standard package

💻 Claude Code Installation

Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.

Please help me install this Skill:
Name: nmr-metabolomics
Download link: https://github.com/dailycafi/metabolism-skills/archive/main.zip#nmr-metabolomics

Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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