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Merge pull request #50 from bigbio/dev
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README.md

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@@ -55,10 +55,8 @@ For MS/MS signals, we have the following additional columns:
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- `precursor_intensity`: The intensity of the precursor ion, if the signal is MS/MS. Capture with pyopenms with `spectrum.getPrecursors()[0].getIntensity()`. If the precursor is not annotated (present), we use the purity object to get the information; see note below.
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- `precursor_rt`: The retention time of the precursor ion, if the signal is MS/MS. See note below.
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- `precursor_total_intensity`: The total intensity of the precursor ion, if the signal is MS/MS. See note below.
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> [!NOTE]
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> For all the precursor-related information, we are using the first precursor in the spectrum. The following columns `intensity` (if not annotated), `precursor_rt`, and `precursor_total_intensity` we use the following pyopnems code:
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> **NOTE**: For all the precursor-related information, we are using the first precursor in the spectrum. The following columns `intensity` (if not annotated), `precursor_rt`, and `precursor_total_intensity` we use the following pyopnems code:
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> ```python
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> precursor_spectrum = mzml_exp.getSpectrum(precursor_spectrum_index)
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> precursor_rt = precursor_spectrum.getRT()

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