Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample.
| Version: |
1.0.5 |
| Depends: |
R (≥ 2.10), Rcpp |
| Imports: |
osd, ncdf4, caTools, nnls, HiClimR, igraph, signal, quantreg, XML, methods |
| Suggests: |
R.rsp, mzR |
| Published: |
2017-01-14 |
| Author: |
Xavier Domingo-Almenara, Sara Samino, Maria Vinaixa, Alexandre Perera, Oscar Yanes |
| Maintainer: |
Xavier Domingo-Almenara <xdomingo at scripps.edu> |
| License: |
GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: |
http://metabolomicsplatform.com/ |
| NeedsCompilation: |
no |
| Citation: |
erah citation info |
| Materials: |
NEWS |
| CRAN checks: |
erah results |