peaklist: Example data for 'MetNet': data input

In tnaake/MetNet: Inferring metabolic networks from untargeted high-resolution mass spectrometry data

Example data for MetNet: data input

Description

The object peaklist is a data.frame, where rows are features and the columns are samples (starting with X001-180).

Format

data.frame

Value

data.frame

Author(s)

Thomas Naake, [e-mail]

Source

Internal peaklist from metabolite profiling of Nicotiana species after W+OS and MeJA treatment. The data was processed by xcms and CAMERA scripts. All unncessary information is removed, keeping only the columns "mz", "rt" and the respective columns containing the intensity values. All row entries with retention time < 103 s and > 440 s were removed. Entries with m/z values < 250 and > 1200 were removed as well as entries with m/z values between 510 and 600 to reduce the file size.

tnaake/MetNet documentation built on Nov. 4, 2024, 4:45 a.m.