Scan data

Scan peak data is laid out one of three ways. RawFileReader::open inspects the file version and first scan to pick a decoder, stored as scan_format: ScanDataFormat.

Variant	When it applies	Instruments
PacketHeader	Profile + centroid scans with a header packet	Orbitrap, ion trap
FlatV63	Variable-size flat peaks, version <= 63	Older TSQ / SRM
FlatV66	Fixed 12-byte peak triplets, version >= 64	TSQ Quantiva, Altis SRM

read_scan_peaks(file, scan_num) returns:

pub struct ScanPeaks {
    pub mz: Vec<f64>,
    pub intensity: Vec<f32>,
}

For full layouts of each packet variant see Scan index and data.