openwraw 1.0.3

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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[![License: Apache-2.0](https://img.shields.io/badge/License-Apache--2.0-blue.svg)](LICENSE)

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

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

## Install

Rust:

```sh
cargo add openwraw
```

Python:

```sh
pip install openwraw
```

## Quickstart

Rust:

```rust
use openwraw::RawReader;

let r = RawReader::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 (69 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).