align_mQTL: Peak alignement and normalisation of metabolomic data
In mQTL: Metabolomic Quantitative Trait Locus Mapping

Description Usage Arguments Details Value Author(s) References See Also Examples

Recursive Segment-Wise Peak Alignment (RSPA) for accounting peak position variation across metabolomic data

1	align_mQTL(datafile, outdat)

`datafile`	raw spectra
`outdat`	aligned spectra

The algorithm is based on the following workflow:

Quotient probabilistic normalisation of metabolomic data.
Automatic selection of a reference spectrum.
Segmentate a reference spectrum.
Then for each test spectrum:
- segmentate a test spectrum.
- match test and reference segments.
- align a test spectrum.

It returns aligned data.

Lyamine Hedjazi

Veselkov,K. et al (2009) Recursive Segment-Wise Peak Alignment of Biological 1H NMR Spectra for Improved Metabolic Biomarker Recovery, Anal. Chem., 81(1), 56-66.

alignSp, attachSegments, matchSegments, segmentateSp,format_mQTL, format_mQTL

  ## Not run: 
## Align metabolomic data profiles

  cleandat<-"CleanMetaboFile.dat" ## Metabolomic data file in csvs format
  aligdat<-"AlignData.dat" ## Aligned metabolomic profiles in csvs format

  align_mQTL(cleandat,aligdat)

## End(Not run)