Lee_2019_meta_vals: Example data for 'MsQuality': data set of Lee et al. (2019)

In tnaake/msQC: MsQuality - Quality metric calculation from Spectra and MsExperiment objects

Example data for MsQuality: data set of Lee et al. (2019)

Description

The data set of Lee et al. (2019) contains metabolite information measured by reverse phase liquid chromatography (RPLC) coupled to mass spectrometry and hydrophilic interaction liquid chromatography (HILIC) coupled to mass spectrometry (file 'STables - rev1.xlsx' in the Supplementary Information). The xlsx sheets 'Methods' and 'Raw data' were stored as txt files.

Lee_2019_meta_vals contains two data frame objects: one containing information on metabolite meta-data and one containing intensity values on metabolites. The object will be used as an example data set in the vignette to show the functionality of the packages.

Format

data.frame

Value

data.frame

Author(s)

Thomas Naake, [e-mail]

Source

path_to_meta <- "Lee_et_al_2019_Stables_rev1_Methods.txt" meta <- read.delim(path_to_meta, dec = ".", header = TRUE)

## print number of metabolites per measurement (meta data) table(meta$Method)

path_to_vals <- "Lee_et_al_2019_Stables_rev1_Raw_data.txt" vals <- read.delim(path_to_vals, dec = ".", header = TRUE)

## print number of metabolites per measurement (intensity data) table(grepl(vals$Metabolite, pattern = "_rp$")) table(grepl(vals$Metabolite, pattern = "_hn$"))

## save the two objects as an RData object save(meta, vals, file = "Lee_2019_meta_vals.RData", compress = "xz")

References

Lee et al. (2019). A large-scale analysis of targeted metabolomics data from heterogeneous biological samples provides insights into metabolite dynamics. Metabolomics, 103, doi: 10.1007/s11306-019-1564-8.

tnaake/msQC documentation built on Oct. 31, 2024, 2:41 a.m.