Expand description
§Match those fragments!
Handle fragment spectra annotation. Has support for generating theoretical fragments, matching theoretical fragments to spectra, and calculating many types of scores on annotated spectra.
§Library features
- Read and write mzSpecLib text files
- Read and write mzPAF peak annotations
- Generate theoretical fragments with control over the fragmentation model from any ProForma peptidoform/proteoform
- Generate theoretical fragments for chimeric spectra
- Generate theoretical fragments for cross-links (also disulfides)
- Generate theoretical fragments for modifications of unknown position
- Generate peptide backbone (a, b, c, x, y, and z) and satellite (w, d, and v) ion fragments
- Generate glycan fragments (B, Y, and internal fragments)
- Integrated with mzdata
- Match spectra to the generated fragments
§Compilation features
coloured-errors- writes out error messages in with colours.
Re-exports§
pub use mzdata;
Modules§
- annotation
- Contains all things related to annotations (fragment spectrum annotations that is).
- fragment
- Contains all things related to fragments and fragmentation.
- glycan
- Handle glycan fragmentation.
- mzspeclib
- Handle mzSpecLib files. For now only the text encoding is supported.
- prelude
- A subset of the types and traits that are envisioned to be used the most, importing this is a good starting point for working with the crate
- spectrum
- Defines annotated spectra
Macros§
- term
- Create a new term
term!(MS:1002357|PSM-level probability). The accession + name combination is not validated.