Struct RunMetadata 

pub struct RunMetadata {
    pub source_file_name: String,
    pub source_file_format: CvTerm,
    pub native_id_format: CvTerm,
    pub instrument: CvTerm,
    pub instrument_serial_number: Option<String>,
    pub software_name: String,
    pub software_version: String,
    pub acquisition_software_name: Option<String>,
    pub acquisition_software_version: Option<String>,
    pub start_timestamp: Option<String>,
    pub mobility_array_kind: Option<MobilityArrayKind>,
    pub analyzers: Vec<Analyzer>,
}

Run-level metadata.

Vendors construct this once per file. The mzML writer uses it to populate <fileDescription>, <sourceFileList>, <instrumentConfigurationList> and <softwareList>.

Fields

source_file_name: String

The source file name to put in <sourceFile name="...">. Typically Path::file_name(); for directory-based formats (Bruker .d/, Waters .raw/), the directory name.

source_file_format: CvTerm

PSI-MS CV term for the source file format, e.g. ("MS:1000563", "Thermo RAW format").

native_id_format: CvTerm

PSI-MS CV term for the native ID format used in native_id fields, e.g. ("MS:1000768", "Thermo nativeID format").

instrument: CvTerm

Instrument CV term. Vendors resolve this from their own model lookup.

instrument_serial_number: Option<String>

Serial number of the physical instrument, when the vendor’s metadata exposes one. Emitted as MS:1000529 (“instrument serial number”) on the default instrumentConfiguration.

software_name: String

Software identifier (e.g. "opentfraw").

software_version: String

acquisition_software_name: Option<String>

Name of the original vendor acquisition software that recorded this run (e.g. "Xcalibur", "MassHunter", "Analyst", "LabSolutions"), when the vendor’s own instrument-method metadata exposes one. This is distinct from software_name/software_version above, which identify the vendor-reader crate producing this mzML, not the instrument-control software that acquired the data. None when the vendor parser does not decode this information. Emitted as a second <software> entry in <softwareList> when present.

acquisition_software_version: Option<String>

Version string for acquisition_software_name, when known. Ignored if acquisition_software_name is None.

start_timestamp: Option<String>

Instrument acquisition start time (RFC 3339), when available.

mobility_array_kind: Option<MobilityArrayKind>

Interpretation of any per-peak ion mobility array carried by the spectra in this run. None is treated as the Bruker convention (MobilityArrayKind::InverseReducedVsPerCm2) for back-compat.

analyzers: Vec<Analyzer>

Physical mass-analyzer components this instrument has, in a stable order. Static instrument configuration, not derived from scan data - vendors already resolve instrument from a model lookup, so this is the same kind of fixed lookup.

Each entry gets its own <instrumentConfiguration> (in addition to the default IC1 built from instrument), and any spectrum whose SpectrumRecord::analyzer matches one of these gets an instrumentConfigurationRef pointing at it, so hybrid instruments (e.g. quad/ion-trap MS2 vs Orbitrap MS1 on a Fusion) preserve per-scan analyzer identity. Leave empty to keep the previous single-IC1-for-everything behavior.

Trait Implementations

impl Clone for RunMetadata

fn clone(&self) -> RunMetadata

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for RunMetadata

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.