Chromatograms

Chromatographic channels (TIC, BPI, UV, analog signals) are described by _CHROMS.INF and stored in _CHROnnnn.DAT. Each channel has an index, a name, and engineering units.

use openwraw::raw::chroms::{read_chro_dat, ChromsInf};
use std::path::Path;

let dir = Path::new("sample.raw");
let ci = ChromsInf::from_path(&dir.join("_CHROMS.INF"))?;
for ch in &ci.channels {
    let chro_num = ci.chro_number_for_channel(ch.index);
    let pts = read_chro_dat(&dir.join(format!("_CHRO{chro_num:04}.DAT")))?;
    println!("{}\t{}\t{} points", ch.name, ch.units, pts.len());
}

Chromatogram channels are accessed directly through the chroms module rather than through Reader - Reader::open only indexes MS functions.

Each point is (retention_time_min, value). The encoding is fixed and does not require calibration.

See the format specification for the _CHROMS.INF byte layout and chro-dat for the data file.