PerformDBSearchingBatch: PerformDBSearchingBatch

In xia-lab/OptiLCMS: Optimized LC-MS Spectra Processing

PerformDBSearchingBatch

Description

PerformDBSearchingBatch

Usage

PerformDBSearchingBatch(
  mSet = NULL,
  ppm1 = 5,
  ppm2 = 15,
  rt_tol = 0,
  database_path = "",
  use_rt = FALSE,
  enableNL = FALSE,
  NLdatabase_path = NULL,
  ncores = 1,
  useEntropy = FALSE
)

Arguments

mSet	mSet Object contains raw spectral data after results consensus from PerformSpectrumConsenus
ppm1	numeric, ppm value of m/z for precursours;
ppm2	numeric, ppm value of m/z for ms/ms fragments matching;
rt_tol	numeric, retention time tolerance, in seconds. Only effective when use_rt is TRUE;
database_path	character, specify the path of database (.sqlite format);
use_rt	logical, to use retention time if TRUE;
enableNL	logical, to enable use Neutral Loss matching for unmatched features if TRUE;
NLdatabase_path	path of neutral loss database. Must be specified to a valid neutral loss database when enableNL is TRUE.
ncores

Value

mSet Object

xia-lab/OptiLCMS documentation built on Nov. 16, 2024, 4:36 p.m.