process_metadata: Create additional metadata for library generation

In daniellyz/MergeION2: Merging and Networking Scans from Multiple LC-MS/MS Raw Data Files

Create additional metadata for library generation

Description

Function used by library_generator() to improve and adapt input metadata

Usage

process_metadata(
  ref,
  processing.algorithm = c("Default", "compMS2Miner", "RMassBank"),
  polarity = c("Positive", "Negative"),
  add.adduct = T,
  adductType = NULL
)

Arguments

processing.algorithm	A single character. "Default", "compMS2Miner" or "RMassBank".
polarity	A single character. Either "Positive" or "Negative". Ion mode of LC-MS/MS files.
add.adduct	Logical. If TRUE, additional adduct types will be calculated based on precursor masses of "M+H" and "M-H" adducts in the input metadata: "M+2H", "M+Na","M+K","M+NH4","M+" will be searched for positive ion mode, "M+COO-", "M+Cl" and "M+CH3COO-" for negative ion mode. If FALSE, no additional adduct types will be searched.

daniellyz/MergeION2 documentation built on Jan. 26, 2024, 6:24 a.m.