metabolomics-quantification

name	metabolomics-quantification
description	Load when imputing missing values (min / median / KNN) and normalising (TIC / median / log) a feature × sample metabolomics CSV. Skip when only normalisation is needed (use `metabolomics-normalization`) or when the input is raw spectra (run `metabolomics-xcms-preprocessing` first).
version	0.5.0
author	OmicsClaw
license	MIT
tags	["metabolomics","quantification","imputation","normalization","knn","tic"]
requires	["pandas","numpy","scikit-learn"]

metabolomics-quantification

When to use

The user has a feature × sample metabolomics intensity table and wants missing-value imputation followed by normalisation, in a single pass. Imputation: min (1/2 of column min), median (per-column median), (sklearn KNNImputer). Normalisation: (Total Ion Current per sample), (per-sample median), (log2(x+1)).