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Binning raw data into blocks for dual inlet analyses

Source: R/blocks_functions.R
orbi_define_blocks_for_dual_inlet.Rd

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 = orbi_get_option("di_ref_name"),
  sample_block_name = orbi_get_option("di_sample_name")
)

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)

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_options("data_type")