mzrust

mzrust provides low-level, handle-based access to mzML files from R using Rust.

Basic usage

Load the package and open an mzML file:

library(mzrust)

con <- open_mzml("example.mzML")

Inspect file-level scan metadata and count the indexed spectra:

hdr <- header(con)
n <- spectrum_count(con)

hdr
n

Read one scan or just its peak table:

sp <- spectrum(con, scan = 1L)
pk <- peaks(con, scan = 1L)

sp
pk

Write a filtered copy containing only spectra within a retention-time window:

subset_path <- write_mzml(con, "subset.mzML", rt_min = 5, rt_max = 10)

subset_path

Close the handle when you are finished:

close_mzml(con)

Gzipped input files (.mzML.gz) are also supported by open_mzml(). If you want a packaged example file after installing mzrust, use:

path <- system.file("extdata", "test-spectrum.mzML", package = "mzrust")
con <- open_mzml(path)