orbi_define_blocks_for_dual_inlet: Binning raw data into blocks for dual inlet analyses

In isoverse/isoorbi: Process Orbitrap Isotopocule Data

Binning raw data into blocks for dual inlet analyses

Description

This function sorts out (bins) data into indivual blocks of reference, sample, changeover time, and startup time.

Usage

orbi_define_blocks_for_dual_inlet(
  dataset,
  ref_block_time.min,
  change_over_time.min,
  sample_block_time.min = ref_block_time.min,
  startup_time.min = 0,
  ref_block_name = setting("di_ref_name"),
  sample_block_name = setting("di_sample_name")
)

Arguments

dataset	A data frame or tibble produced from IsoX data by orbi_simplify_isox()
ref_block_time.min	time where the signal is stable when reference is analyzed
change_over_time.min	time where the signal is unstable after switching from reference to sample or back
sample_block_time.min	time where the signal is stable when sample is analyzed
startup_time.min	initial time to stabilize spray
ref_block_name	the name of the reference being measured
sample_block_name	the name of the sample being measured

Value

A data frame (tibble) with block annotations in the form of the additional columns described below:

• data_group is an integer that numbers each data group (whether that's startup, a sample block, a segment, etc.) in each file sequentially to uniquely identify groups of data that belong together - this columns is NOT static (i.e. functions like orbi_adjust_block() and orbi_segment_blocks() will lead to renumbering) and should be used purely for grouping purposes in calculations and visualization

• block is an integer counting the data blocks in each file (0 is the startup block)

• sample_name is the name of the material being measured as defined by the ref_block_name and sample_block_name parameters

• segment is an integer defines segments within individual blocks - this will be NA until the optional orbi_segment_blocks() is called

• data_type is a text value describing the type of data in each data_group - for a list of the main categories, call orbi_get_settings("data_type")

isoverse/isoorbi documentation built on Aug. 9, 2024, 3:42 p.m.