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openmassspec-io (Python)

Python bindings for the openmassspec-io Rust crate. Detect a Thermo / Bruker / Waters / Agilent / SCIEX acquisition on disk, convert it to mzML, or stream spectra as zero-copy NumPy arrays / pyarrow record batches.

import openmassspec_io as opio

fmt = opio.detect("sample.raw")        # -> "thermo" | "bruker" | "waters" | None
opio.to_mzml("sample.raw", "sample.mzML", indexed=True)

for spec in opio.iter_spectra("sample.raw"):
    print(spec.native_id, spec.ms_level, spec.mz.shape)

# Optional Arrow stream (requires pyarrow):
reader = opio.read_arrow("sample.raw", batch_size=1024)
for batch in reader:
    print(batch.num_rows)

Build from source:

pip install maturin
maturin develop --release

Metadata

Release files for openmassspec-io 1.5.4

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openmassspec_io-1.5.4-cp39-abi3-win_amd64.whl CPython 3.9 abi3 Windows x86-64 Details
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openmassspec_io-1.5.4-cp39-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.9 abi3 Linux glibc 2.17+ ARM64 Details
openmassspec_io-1.5.4-cp39-abi3-macosx_11_0_arm64.whl CPython 3.9 abi3 macOS 11.0+ ARM64 Details
openmassspec_io-1.5.4-cp39-abi3-macosx_10_12_x86_64.whl CPython 3.9 abi3 macOS 10.12+ x86-64 Details

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2.0.0

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1.5.3

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