Run absorb-form analysis for one polarity

Run absorb-form analysis for one polarity

Usage

run_absorb_form_analysis(
  obj,
  i.pol = 1,
  ppm = 3,
  rt_tol = 5,
  min_peak_maxo = 10000,
  nutrient_groups = c("NSA", "NSB", "NSC", "NSD", "NSE", "NSF", "NSG", "NSH")
)

Arguments

obj

MSdev object with TRACE results and xcms data.

i.pol

Polarity index (`0` = negative, `1` = positive).

ppm

m/z tolerance for CN form matching.

rt_tol

RT tolerance in seconds.

min_peak_maxo

Minimum peak intensity filter.

nutrient_groups

Nutrient sample groups to retain.

Value

A data.frame of absorb-form fractions for all metabolite seeds.