feat: add CLI options for custom CSV separator and normalize-to-one branch normalization
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@@ -87,6 +87,10 @@ class SpectrumConfig:
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intensity_cutoff: float = (
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0.0 # Ignore branches below this fraction (default: 0.0 = all)
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)
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# CSV output options
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csv_separator: str = ',' # Default separator for CSV output
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normalize_to_one: bool = False # If True, normalize each branch to 1, ignoring intensity
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class BetaSpectrum:
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@@ -321,6 +325,8 @@ class BetaSpectrum:
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# Create per-branch calculators
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branch_spectra: List[BetaSpectrum] = []
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if config.branches is None:
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raise ValueError("branches must be provided for multi-branch mode")
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for i, branch in enumerate(config.branches):
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if logger:
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logger.info(
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