IQMNMR (1.0.7)

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Identification and Quantification of Metabolites by Using 1D 1H NMR FID.

http://cran.r-project.org/web/packages/IQMNMR

Critical to metabolomics is the unambiguous identification and absolute quantification of metabolites. One-dimensional (1D) proton (1H) NMR has formed the bedrock of metabolomics studies to date. Automated and high throughput identification and quantification of metabolites is a big challenge for One-dimensional (1D) proton (1H) NMR. This package present a new automated technique based on Message Passing Interface (MPI), relaxation algorithm, pattern identification, Madison Metabolomics Consortium Database (MMCD), and 1D 1H NMR free induction decay (FID), for the unambiguous identification and absolute quantification of targeted metabolites.

Maintainer: Xu Song
Author(s): XuSong

License: GPL (>= 2)

Uses: neldermead, outliers, papply, Rmpi, signal

Released almost 7 years ago.


6 previous versions

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