RMB_EIC_prescreen: EIC Prescreening function for RMassBank

Description Usage Arguments Value Author(s) Examples

View source: R/RMB_EIC_prescreen.R

Description

This is a wrapper function to perform prescreening of EICs and MS/MS scans prior to running RMassBank, so entries can be checked visually. Output is a PDF and summary CSV; this is designed to check the data and not look pretty. This is mainly an internal function made public just in case it helps anyone. It is recommended to run this immediately prior to msmsWorkflow in RMassBank once all the appropriate files are set up.

Usage

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RMB_EIC_prescreen(
  archive_name,
  RMB_mode,
  FileList,
  cmpd_list,
  ppm_limit_fine = 10,
  EIC_limit = 0.001
)

Arguments

archive_name

Name of the archive (compatible with RMassBank naming)

RMB_mode

Mode in RMassBank

FileList

The FileList to be used in RMassBank

cmpd_list

The CompoundList to be used in RMassBank

ppm_limit_fine

The fine limit for extracting the MS/MS for findMsMsHR.mass in RMassBank (ppm)

EIC_limit

The (absolute) limit for EIC extraction.

Value

Function returns a PDF and CSV summary file.

Author(s)

Emma Schymanski <emma.schymanski@uni.lu>

Examples

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Currently no examples implemented.

schymane/ReSOLUTION documentation built on May 22, 2021, 3:41 a.m.