nmr_import_peaks {nmrrr}

Import and process picked peaks data

Description

Process data of peaks picked with NMR software.

Usage

nmr_import_peaks(path, method, pattern = "*.csv$", quiet = FALSE)

Arguments

path

Directory where the peaks data are saved

method

Format of input data, depending on how the data were exported. "multiple columns": data are in split-column format, obtained by pasting "peaks table" in MNova. "single column": data are in single-column format, exported from MNova as "peaks script".

pattern

Filename pattern to search for (by default "*.csv$")

quiet

Print diagnostic messages? Logical

Value

A dataframe with columns describing sample ID, ppm, intensity, area, group name.

Author(s)

Kaizad Patel

Examples

sdir <- system.file("extdata", "kfp_hysteresis", "peaks_mnova_multiple", package = "nmrrr")
nmr_import_peaks(path = sdir, method = "multiple columns")