Define data block for flow injection

Define a data block by either start and end time or start and end scan number. If you want to make segments in the blocks (optional), note that this function - manually defining blocks - removes all block segmentation. Make sure to call orbi_segment_blocks() only after finishing block definitions.

Usage

orbi_define_block_for_flow_injection(
  dataset,
  start_time.min = NULL,
  end_time.min = NULL,
  start_scan.no = NULL,
  end_scan.no = NULL,
  sample_name = NULL
)

Arguments

dataset

An aggregated dataset or a data frame of peaks (i.e. works directly after orbi_identify_isotopocules() as well as with a tibble from orbi_get_data(peaks = everything()) or when reading from an IsoX file)

start_time.min

set the start time of the block

end_time.min

set the end time of the block

start_scan.no

set the start scan of the block

end_scan.no

set the end scan of the block

sample_name

if provided, will be used as the sample_name for the block

Value

A data frame (tibble) with block definition added. Any data that is not part of a block will be marked with the value of orbi_get_option("data_type_unused"). Any previously applied segmentation will be discarded (segment column set to NA) to avoid unintended side effects.