peaklist_demo: Demo peak list

In ume: Ultrahigh-Resolution Mass Spectrometry Data Evaluation for Complex Organic Matter

Demo peak list

Description

Contains parts of the peaklist (200 - 300 m/z) from mass spectra to use as demonstration and validation dataset. The sample mass spectra contain one blank, three replicates of North Sea water, and three Arctic fjord samples as triplicates.

Usage

peaklist_demo

Format

A data.table having 31,091 rows and 7 variables:

file_id

A unique identifier for a mass spectrum (integer)

file

A unique label for a mass spectrum or sample (character)

peak_id

A unique identifier for a peak in the entire peak list (integer)

mz

Mass to charge ratio of the singly charged molecular ion (numeric)

i_magnitude

Peak magnitude of the molecular ion (numeric)

s_n

Signal to noise ratio of the molecular ion (numeric)

res

Mass resolution of the peak / ion (numeric)

Source

taken from www.awi.de

See Also

Other ume data: known_mf, lib_demo, masses, mf_data_demo, nice_labels_dt, tab_ume_labels

Examples

data(peaklist_demo)

ume documentation built on Dec. 13, 2025, 1:06 a.m.