masster 0.5.17__py3-none-any.whl → 0.5.19__py3-none-any.whl
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- masster/_version.py +1 -1
- masster/sample/adducts.py +12 -0
- masster/sample/defaults/find_ms2_def.py +5 -5
- masster/sample/defaults/sample_def.py +30 -6
- masster/sample/h5.py +59 -13
- masster/sample/lib.py +9 -3
- masster/sample/load.py +47 -120
- masster/sample/processing.py +3 -3
- masster/sample/sample.py +5 -3
- masster/sample/sciex.py +62 -648
- masster/sample/thermo.py +801 -0
- masster/study/id.py +3 -1
- masster/study/load.py +15 -792
- masster/study/study.py +1 -0
- masster/wizard/README.md +15 -15
- masster/wizard/wizard.py +82 -28
- {masster-0.5.17.dist-info → masster-0.5.19.dist-info}/METADATA +3 -2
- {masster-0.5.17.dist-info → masster-0.5.19.dist-info}/RECORD +21 -20
- {masster-0.5.17.dist-info → masster-0.5.19.dist-info}/WHEEL +0 -0
- {masster-0.5.17.dist-info → masster-0.5.19.dist-info}/entry_points.txt +0 -0
- {masster-0.5.17.dist-info → masster-0.5.19.dist-info}/licenses/LICENSE +0 -0
masster/study/id.py
CHANGED
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@@ -22,7 +22,8 @@ def lib_load(
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Args:
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study: Study instance
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lib_source: either a CSV file path (str) or a Lib instance
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-
polarity: ionization polarity ("positive" or "negative") - used when lib_source is a CSV path
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+
polarity: ionization polarity ("positive" or "negative") - used when lib_source is a CSV path.
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If None, uses study.polarity automatically.
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adducts: specific adducts to generate - used when lib_source is a CSV path
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iso: isotope generation mode ("13C" to generate 13C isotopes, None for no isotopes)
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@@ -49,6 +50,7 @@ def lib_load(
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polarity = "negative"
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else:
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polarity = "positive" # Default fallback
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+
study.logger.debug(f"Using study polarity: {polarity}")
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# Handle string input (CSV file path)
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if isinstance(lib_source, str):
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