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openmassspec

openmassspec is a thin Python metapackage that bundles the OpenMassSpec vendor reader stack:

Vendor Format Underlying package
Thermo .raw file opentfraw
Bruker .d/ bundle opentimstdf
Waters .raw/ dir openwraw

Install

Install just what you need:

pip install openmassspec[thermo]
pip install openmassspec[bruker]
pip install openmassspec[waters]

Or install every supported vendor reader:

pip install openmassspec[all]

Usage

import openmassspec

kind = openmassspec.detect("/data/sample.raw")     # "thermo" | "bruker" | "waters" | None
run  = openmassspec.open_run("/data/sample.raw")    # vendor-specific reader object

open_run raises ImportError if the matching vendor extra is not installed and ValueError if the format cannot be detected.

License

Apache-2.0. See LICENSE.

Metadata

Release files for openmassspec 2.0.0

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Source distribution (sdist)

Source distribution for openmassspec 2.0.0
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openmassspec-2.0.0.tar.gz 10.6 kB Details

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Table of built distributions (wheels) for openmassspec 2.0.0
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openmassspec-2.0.0-py3-none-any.whl Python 3 none any Details

Total release size: 19.2 kB

Release files / openmassspec-2.0.0.tar.gz

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