Get n representive spectrums via molecular networking

get_representives {mzkit}

R Documentation

get_representives(ions,
    top.n = 5,
    mzdiff = 0.3,
    intocutoff = 0.05,
    equals = 0.85);

ions

a collection of the peakms2 dataset

top.n

this function returns top n spectrum data

mzdiff

the mass tolerance error for make spectrum centroid and matched of the ms2 spectrum fragments.

intocutoff

the relative intensity percentage value for removes the noise fragments.

equals

the spectrum similarity cutoff value for check of the two spectrum is equals or not.

xieguigang

a collection of peakms2 data object, number of the spectrum is specificed via the top_n parameter.

[Package mzkit version 3.2.56.56444 Index]