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Align mass to charge ratio and/or retention time to remove redundancy
getalign2(mz, rt, ppm = 5, deltart = 5)
index for
the mass to charge of reference peaks
retention time of reference peaks
mass accuracy, default 10
retention time shift table, default 10 seconds
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)
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