openwraw 1.2.9

Rust reader for Waters MassLynx RAW mass spectrometry directories.
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# OpenWRaw

[![CI](https://github.com/Sigilweaver/OpenWRaw/actions/workflows/ci.yml/badge.svg)](https://github.com/Sigilweaver/OpenWRaw/actions/workflows/ci.yml)
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> Part of the [OpenMassSpec](https://github.com/Sigilweaver/OpenMassSpec)
> stack for mass spectrometry raw-file access.

Rust and Python reader for the Waters MassLynx RAW mass spectrometry
data format. Cross-platform (Linux, macOS, Windows), with no native or
system dependencies.

Documentation: [sigilweaver.app/openwraw/docs](https://sigilweaver.app/openwraw/docs)

## Install

**Prefer [`openmassspec-io`](https://github.com/Sigilweaver/OpenMassSpec)
with the `waters` feature/extra** unless you need this parser standalone
(minimal dependencies, or building your own abstraction) - the umbrella
gives you format auto-detection, mzML conversion, and Arrow streaming
across all wired-in vendors for free:

```sh
cargo add openmassspec-io --features waters
```

```sh
pip install openmassspec[waters]
```

Standalone:

Rust:

```sh
cargo add openwraw
```

Python:

```sh
pip install openwraw
```

## Quickstart

Rust:

```rust
use openwraw::Reader;

let r = Reader::open("sample.raw")?;
for f in &r.functions {
    println!("function {}: {} scans", f.index, f.scan_count());
}
```

Python:

```python
import openwraw

r = openwraw.RawReader("sample.raw")
spec = r.read_spectrum(1, 0)
print(spec.mz[:5], spec.intensity[:5])
```

See the [docs site](https://sigilweaver.app/openwraw/docs) for the full
quickstart, guide, and format specification.

## Repository layout

```
crates/
  openwraw/      Core Rust library (96 tests)
  openwraw-py/   PyO3 / maturin Python bindings
docs/            Docusaurus site (format spec + guides)
```

## License

Apache-2.0. See [LICENSE](LICENSE).

The format specification was developed by binary analysis of public
mass-spectrometry datasets (PRIDE accessions). See
[ATTRIBUTION.md](ATTRIBUTION.md).