catOSWruns_: Concatenate different run OSW tables into one table

Description Usage Arguments Value Author(s)

View source: R/catOSWruns.R

Description

This function can be used to extract OSW data for several runs from an OSW file, and concatenate them into one table with a run id

Usage

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catOSWruns_(
  sqMass_files,
  in_osw,
  which_m_score = "m_score",
  m_score_filter = 0.05,
  report_top_single_result = T,
  run_sub_expression = NULL,
  mod_exclusion = NULL,
  mod_grouping = NULL,
  ...
)

Arguments

sqMass_files

An array of character paths to the chromatograms that have corresponding names in the OSW file.

in_osw

A character vector of the absolute path and filename of the osw file. (Must be .osw format)

which_m_score

A character vector indicating which m_score to use. (Options: m_score or ms2-m_score. Default: 'm_score')

m_score_filter

A numeric vector indicating the threshold m_score cut-off value for filtering. (Defualt: 0.05)

report_top_single_result

A logical value indificating to keep only the results with the lowest m_score. (Default: TRUE)

mod_exclusion

A vector of unimod record id modifications to exclude, and replace by nothing. Example: c("35")

mod_grouping

A dataframe contained uninod ids and random characters to group isomers by. Example: data.frame( record_id=c(4, 259, 267), rand_char_id="B", stringsAsFactors = F )

Value

A data.table containing Run ID information

Author(s)

Justin Sing https://github.com/singjc


singjc/mstools documentation built on June 28, 2020, 8:10 p.m.