Align mass to charge ratio and/or retention time to remove redundancy
Usage
getalign2(mz, rt, ppm = 5, deltart = 5)
Arguments
- mz
the mass to charge of reference peaks
- rt
retention time of reference peaks
- ppm
mass accuracy, default 10
- deltart
retention time shift table, default 10 seconds
Examples
mz <- c(221.1171, 221.1170, 229.1546, 233.1497, 271.0790 )
rt <- c(590.8710, 587.3820, 102.9230, 85.8850, 313.8240)
getalign2(mz,rt)
#> [1] 2 3 4 5