SetAnnotationParam: Set annotation parameters

In xia-lab/MetaboAnalystR3.0: An R Package for Comprehensive Analysis of Metabolomics Data

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.

Author(s)

Jasmine Chong [e-mail], Mai Yamamoto [e-mail], and Jeff Xia [e-mail] McGill University, Canada License: GNU GPL (>= 2)

xia-lab/MetaboAnalystR3.0 documentation built on May 6, 2020, 11:03 p.m.