isoorbi1.5.2 package

Process Orbitrap Isotopocule Data

isoorbi-package

isoorbi: Process Orbitrap Isotopocule Data

orbi_add_blocks_to_plot

Plot blocks background

orbi_adjust_block

Manually adjust block delimiters

orbi_aggregate_raw

Aggregate data from raw files

orbi_aggregator

Dynamic data agreggator

orbi_analyze_shot_noise

Shot noise calculation

orbi_calculate_ions

Calculate ions from intensities

orbi_calculate_ratios

Calculate direct isotopocule ratios

orbi_calculate_summarized_ratio

Calculate isotopocule ratio

orbi_check_isoraw

Check for the isoorbi raw file reader

orbi_default_theme

Default isoorbi plotting theme

orbi_define_basepeak

Define the denominator for ratio calculation

orbi_define_block_for_flow_injection

Define data block for flow injection

orbi_define_blocks_for_dual_inlet

Binning raw data into blocks for dual inlet analyses

orbi_export_data_to_excel

Export data to excel

orbi_filter_files

Basic generic data files filter

orbi_filter_flagged_data

Filter out flagged data

orbi_filter_isotopocules

Filter isotopocules

orbi_filter_isox

Filter isox files

orbi_filter_satellite_peaks

Function replaced by orbi_flag_satellite_peaks()

orbi_filter_scan_intensity

Function replaced by orbi_flag_outliers()

orbi_filter_weak_isotopocules

Function replaced by orbi_flag_weak_isotopocules()

orbi_find_isox

Find isox files

orbi_find_raw

Find raw files

orbi_flag_outliers

Flag outlier scans

orbi_flag_satellite_peaks

Flag minor satellite peaks Flags minor signals for an isotopocule that...

orbi_flag_weak_isotopocules

Flag weak isotopocules

orbi_get_blocks_info

Summarize blocks info

orbi_get_data

Get data frame from aggregated data

orbi_get_example_files

Get available example file(s)

orbi_get_settings

Get all isoorbi package settings

orbi_identify_isotopocules

Identify isotopocules

orbi_isotopocule_coverage

Isotopocule coverage

orbi_options

Package options

orbi_plot_raw_data

Visualize data

orbi_plot_satellite_peaks

Visualize satellite peaks

orbi_plot_shot_noise

Make a shot noise plot

orbi_plot_spectra

Plot mass spectra

orbi_read_isox

Read IsoX file

orbi_read_raw

Read RAW files

orbi_segment_blocks

Segment data blocks

orbi_set_settings

Set package settings

orbi_simplify_isox

Simplify IsoX data

orbi_summarize_results

Generate the results table

problems

Retrieve parsing problems

Read and process isotopocule data from an Orbitrap Isotope Solutions mass spectrometer. Citation: Kantnerova et al. (Nature Protocols, 2024).

  • Maintainer: Caj Neubauer
  • License: MIT + file LICENSE
  • Last published: 2025-10-03