R: Peak alignement and normalisation of metabolomic data

align_mQTL {mQTL} | R Documentation

## Peak alignement and normalisation of metabolomic data

### Description

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

### Usage

    align_mQTL(datafile, outdat)

### Arguments

`datafile` | raw spectra
`outdat` | aligned spectra

### Details

The algorithm is based on the following workflow:

1. Quotient probabilistic normalisation of metabolomic data.

2. Automatic selection of a reference spectrum.

3. Segmentate a reference spectrum.

4. Then for each test spectrum:

   - segmentate a test spectrum.

   - match test and reference segments.

   - align a test spectrum.

### Value

It returns aligned data.

### Author(s)

Lyamine Hedjazi

### References

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.

### See Also

`alignSp`, `attachSegments`, `matchSegments`, `segmentateSp`,`format_mQTL`, `format_mQTL`

### Examples

      ## 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)

[Package mQTL version 1.0 Index]