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.
1 maintainer
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