masster 0.2.5__py3-none-any.whl → 0.3.0__py3-none-any.whl
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- masster/__init__.py +27 -27
- masster/_version.py +17 -17
- masster/chromatogram.py +497 -503
- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.featureXML +199787 -0
- masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.sample5 +0 -0
- masster/logger.py +318 -244
- masster/sample/__init__.py +9 -9
- masster/sample/defaults/__init__.py +15 -15
- masster/sample/defaults/find_adducts_def.py +325 -325
- masster/sample/defaults/find_features_def.py +366 -366
- masster/sample/defaults/find_ms2_def.py +285 -285
- masster/sample/defaults/get_spectrum_def.py +314 -318
- masster/sample/defaults/sample_def.py +374 -378
- masster/sample/h5.py +1321 -1297
- masster/sample/helpers.py +833 -364
- masster/sample/lib.py +762 -0
- masster/sample/load.py +1220 -1187
- masster/sample/parameters.py +131 -131
- masster/sample/plot.py +1610 -1622
- masster/sample/processing.py +1402 -1416
- masster/sample/quant.py +209 -0
- masster/sample/sample.py +391 -387
- masster/sample/sample5_schema.json +181 -181
- masster/sample/save.py +737 -736
- masster/sample/sciex.py +1213 -0
- masster/spectrum.py +1287 -1319
- masster/study/__init__.py +9 -9
- masster/study/defaults/__init__.py +21 -19
- masster/study/defaults/align_def.py +267 -267
- masster/study/defaults/export_def.py +41 -40
- masster/study/defaults/fill_chrom_def.py +264 -264
- masster/study/defaults/fill_def.py +260 -0
- masster/study/defaults/find_consensus_def.py +256 -256
- masster/study/defaults/find_ms2_def.py +163 -163
- masster/study/defaults/integrate_chrom_def.py +225 -225
- masster/study/defaults/integrate_def.py +221 -0
- masster/study/defaults/merge_def.py +256 -0
- masster/study/defaults/study_def.py +272 -269
- masster/study/export.py +674 -287
- masster/study/h5.py +1398 -886
- masster/study/helpers.py +1650 -433
- masster/study/helpers_optimized.py +317 -0
- masster/study/load.py +1201 -1078
- masster/study/parameters.py +99 -99
- masster/study/plot.py +632 -645
- masster/study/processing.py +1057 -1046
- masster/study/save.py +149 -134
- masster/study/study.py +606 -522
- masster/study/study5_schema.json +247 -241
- {masster-0.2.5.dist-info → masster-0.3.0.dist-info}/METADATA +15 -10
- masster-0.3.0.dist-info/RECORD +59 -0
- {masster-0.2.5.dist-info → masster-0.3.0.dist-info}/licenses/LICENSE +661 -661
- masster-0.2.5.dist-info/RECORD +0 -50
- {masster-0.2.5.dist-info → masster-0.3.0.dist-info}/WHEEL +0 -0
- {masster-0.2.5.dist-info → masster-0.3.0.dist-info}/entry_points.txt +0 -0
masster/__init__.py
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"""
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masster - Mass Spectrometry Analysis Assistant
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A comprehensive Python package for processing and analyzing untargeted metabolomics data,
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supporting both DDA (Data-Dependent Acquisition) and DIA (Data-Independent Acquisition)
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mass spectrometry workflows.
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"""
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from __future__ import annotations
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from masster._version import __version__
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# from masster._version import get_version
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from masster.chromatogram import Chromatogram
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from masster.sample.sample import Sample
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from masster.spectrum import Spectrum
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from masster.study.study import Study
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__all__ = [
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"Chromatogram",
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"Sample",
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"Spectrum",
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"Study",
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"__version__",
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# "get_version",
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]
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"""
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masster - Mass Spectrometry Analysis Assistant
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A comprehensive Python package for processing and analyzing untargeted metabolomics data,
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supporting both DDA (Data-Dependent Acquisition) and DIA (Data-Independent Acquisition)
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mass spectrometry workflows.
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"""
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from __future__ import annotations
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from masster._version import __version__
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# from masster._version import get_version
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from masster.chromatogram import Chromatogram
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from masster.sample.sample import Sample
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from masster.spectrum import Spectrum
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from masster.study.study import Study
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__all__ = [
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"Chromatogram",
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"Sample",
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"Spectrum",
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"Study",
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"__version__",
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# "get_version",
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]
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masster/_version.py
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from __future__ import annotations
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__version__ = "0.5.
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def get_version():
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return __version__
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def main():
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"""Print the current version."""
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print(f"Current version: {__version__}")
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if __name__ == "__main__":
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main()
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from __future__ import annotations
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__version__ = "0.5.7"
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def get_version():
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return __version__
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def main():
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"""Print the current version."""
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print(f"Current version: {__version__}")
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if __name__ == "__main__":
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main()
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