Read a 2D Spectrum with DEEP Picker Parsers — read_spectrum

Reads a 2D spectrum file using the file parsers bundled with DEEP Picker and returns the real spectrum as a numeric matrix. Row names and column names are the ppm values parsed from the file for the indirect and direct dimensions.

Usage

read_spectrum_2d(path, verbose = TRUE)

Arguments

path: Path to a 2D spectrum file.
verbose: Logical; whether to print parser progress messages.

Value

A numeric matrix with row names and column names set to ppm values.

Details

Supported formats are chosen by file extension and include NMRPipe (`.ft2`), text (`.txt`), CSV (`.csv`), JSON (`.json`), Sparky (`.ucsf`), and the DEEP Picker `.ldw` format.

Examples

path <- system.file("extdata", "mfap.ft2", package = "deeppicker")
x <- read_spectrum_2d(path)
str(x)
#>  num [1:256, 1:704] -48128 -16318 -77824 -123162 -61511 ...
#>  - attr(*, "dimnames")=List of 2
#>   ..$ : chr [1:256] "135.094217752" "134.977012911" "134.85980807" "134.742603229" ...
#>   ..$ : chr [1:704] "10.999283528" "10.9914603075" "10.983637087" "10.9758138666" ...