openproteo_core/
enums.rs

1//! Shared enums and types used across the open mass-spec parsers.
2//!
3//! These mirror the enums historically defined in `opentfraw::types` (which is
4//! where the vocabulary first lived) but are intentionally **vendor neutral**:
5//! anything Thermo-specific (e.g. firmware byte codes, scan-filter symbols)
6//! stays in the vendor crate.
7
8/// Detector / mass analyzer family.
9///
10/// The variants follow Thermo's preamble encoding (the most detailed source
11/// available across vendors); other vendors map their detector class onto the
12/// closest equivalent.
13#[derive(Debug, Clone, Copy, PartialEq, Eq)]
14pub enum Analyzer {
15    /// Ion trap.
16    ITMS,
17    /// Triple quadrupole.
18    TQMS,
19    /// Single quadrupole.
20    SQMS,
21    /// Time-of-flight.
22    TOFMS,
23    /// Fourier-transform (Orbitrap, FT-ICR).
24    FTMS,
25    /// Magnetic sector.
26    Sector,
27}
28
29/// Scan polarity.
30#[derive(Debug, Clone, Copy, PartialEq, Eq)]
31pub enum Polarity {
32    Negative,
33    Positive,
34}
35
36/// Whether a spectrum holds centroided peak picks or the raw profile signal.
37#[derive(Debug, Clone, Copy, PartialEq, Eq)]
38pub enum ScanMode {
39    Centroid,
40    Profile,
41}
42
43/// MSn order (MS1, MS2, ...).
44#[derive(Debug, Clone, Copy, PartialEq, Eq)]
45pub enum MsPower {
46    Undefined,
47    Ms1,
48    Ms2,
49    Ms3,
50    Ms4,
51    Ms5,
52    Ms6,
53    Ms7,
54    Ms8,
55}
56
57/// Activation method used for MSn fragmentation.
58#[derive(Debug, Clone, Copy, PartialEq, Eq)]
59pub enum Activation {
60    /// Higher-energy collisional dissociation (Q Exactive style).
61    HCD,
62    /// Multi-photon induced dissociation.
63    MPID,
64    /// Electron transfer dissociation.
65    ETD,
66    /// Collision-induced dissociation. On FTMS analyzers this is
67    /// conventionally rendered as beam-type CID (HCD-equivalent) in mzML.
68    CID,
69    /// Electron-capture dissociation.
70    ECD,
71    /// Infrared multiphoton dissociation.
72    IRMPD,
73    /// Proton-transfer / activated-ion variant.
74    PD,
75    /// Pulsed q dissociation.
76    PQD,
77    /// Ultraviolet photodissociation.
78    UVPD,
79    /// Surface-induced dissociation.
80    SID,
81    /// ETD with supplemental HCD.
82    EThcD,
83}
84
85/// Unit + meaning of a per-peak ion mobility array.
86///
87/// Selects the CV term and unit emitted by the mzML writer when a
88/// [`crate::SpectrumRecord::inv_mobility_per_peak`] array is present.
89#[derive(Debug, Clone, Copy, PartialEq, Eq)]
90pub enum MobilityArrayKind {
91    /// Bruker TIMS convention: per-peak 1/K0 in volt-second per square
92    /// centimeter. Emitted as MS:1003008 "raw inverse reduced ion mobility
93    /// array" with unit MS:1002814.
94    InverseReducedVsPerCm2,
95    /// Waters traveling-wave IMS convention: per-peak drift time in
96    /// milliseconds. Emitted as MS:1003007 "raw ion mobility array" with
97    /// unit UO:0000028 "millisecond".
98    DriftTimeMilliseconds,
99}
100
101impl MsPower {
102    /// Numeric MS level (1 for MS1, 2 for MS2, ...). Returns 1 for `Undefined`,
103    /// matching the convention used in mzML output.
104    pub fn ms_level(self) -> u32 {
105        match self {
106            Self::Undefined | Self::Ms1 => 1,
107            Self::Ms2 => 2,
108            Self::Ms3 => 3,
109            Self::Ms4 => 4,
110            Self::Ms5 => 5,
111            Self::Ms6 => 6,
112            Self::Ms7 => 7,
113            Self::Ms8 => 8,
114        }
115    }
116}
openproteo_core/enums.rs

openproteo_core/
enums.rs
