MetaboAnalystR (version 2.0.0)

SetAnnotationParam: Set annotation parameters

Description

This function sets the parameters for peak annotation.

Usage

SetAnnotationParam(polarity = "positive", perc_fwhm = 0.6,
  mz_abs_iso = 0.005, max_charge = 2, max_iso = 2,
  corr_eic_th = 0.85, mz_abs_add = 0.001)

Arguments

polarity

Character, specify the polarity of the MS instrument. Either "negative" or "positive".

perc_fwhm

Numeric, set the percentage of the width of the FWHM for peak grouping. Default is set to 0.6.

mz_abs_iso

Numeric, set the allowed variance for the search (for isotope annotation). The default is set to 0.005.

max_charge

Numeric, set the maximum number of the isotope charge. For example, the default is 2, therefore the max isotope charge is 2+/-.

max_iso

Numeric, set the maximum number of isotope peaks. For example, the default is 2, therefore the max number of isotopes per peaks is 2.

corr_eic_th

Numeric, set the threshold for intensity correlations across samples. Default is set to 0.85.

mz_abs_add

Numeric, set the allowed variance for the search (for adduct annotation). The default is set to 0.001.