align_mQTL {mQTL.NMR} | R Documentation |
Recursive Segment-Wise Peak Alignment (RSPA) for accounting peak position variation across metabolomic data
align_mQTL(datafile, outdat,idx)
datafile |
The main input file of raw spectra in the csvs format |
outdat |
The output file of aligned spectra in the csvs format |
idx |
index of reference spectrum |
The algorithm is based on the following workflow:
Automatic selection of a reference spectrum (if required).
Segmentate a reference spectrum.
Then for each test spectrum:
segmentate a test spectrum.
match test and reference segments.
align a test spectrum.
It returns a file with aligned data in the csvs format.
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
# Download data files load_datafiles() # Format data format_mQTL(phenofile,genofile,physiodat,cleandat,cleangen) # Constant Sum normlisation nmeth<-'CS' normalise_mQTL(cleandat,CSnorm,nmeth) # Alignment align_mQTL(CSnorm,aligdat)