Intrinsic Peak Analysis (IPA)


Integrated Data Science Laboratory for Metabolomics and Exposomics (IDSL-ME)

Intrinsic Peak Analysis (IPA)

IDSL-IPA generates comprehensive and high-quality datasets from untargeted analysis of organic small molecules in a bio-specimen using a liquid chromatography high resolution mass spectrometry instrument. It is a suite of new algorithms covering EIC candidate generation, peak detection, peak property evaluation, mass-correction, RT correction across multiple batches and peak annotation. It has been optimized and tested for analysis of large sample sizes (>200) samples. In our benchmarking tests , IDSL.IPA outperforms other tools in terms of sensitivity and specificity for the detected peaks.

The software is a provided as a standard R package "IDSL.IPA". It has 48 parameters divided into 8 sections which needed to be provided by a user. To facilitate its use, three ways to prepare the parameter file and script are provided to match with a user's experience with R programming language.

Zenodo entries

IDSL.IPA generated results in the Zenodo Repository ( )

Citation : coming soon!