process_dda: Create pseudo-library file from a LC-MS/MS data file through...

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

Create pseudo-library file from a LC-MS/MS data file through non-targeted feature screening

Description

Function used by library_generator to screen LC-MS features from unknown mzML/mzXML file

Usage

process_dda(
  raw_data_file,
  polarity = c("Positive", "Negative"),
  ppm_search = 10,
  rt_search = 12,
  baseline = 1000
)

Arguments

raw_data_file	Character. The LC-MS/MS file name from which fragmented LC-MS features are extracted. All files must have be in centroid-mode with mzML or mzMXL extension!
polarity	character. Either "Positive" or "Negative". Ion mode of the LC-MS/MS file.
ppm_search	Numeric. Absolute mass tolerance in ppm for feature screening and extraction
rt_search	Numeric. Absolute retention tolerance in seconds for feature screening and extraction
baseline	Numeric. Absolute intensity threshold above which is considered as a mass peak, otherwise noise.

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