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fix bug in get_intensity
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aeiwz committed Dec 12, 2024
1 parent e7a814f commit 0a394a9
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Showing 2 changed files with 5 additions and 4 deletions.
5 changes: 3 additions & 2 deletions metbit/dev/take_intensity.py
Original file line number Diff line number Diff line change
Expand Up @@ -239,8 +239,9 @@ def export_x_positions(n_clicks, stored_peaks):

x_positions = [p['x'] for p in stored_peaks]
df = pd.DataFrame(x_positions, columns=["X Positions"])
peak_list = df['X Positions'].to_list()
export_intensity = spectra.iloc[:, peak_list]
#convert str list
x_positions = [str(i) for i in x_positions]
export_intensity = spectra.loc[:, x_positions]
csv_string = export_intensity.to_csv(index=False)


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4 changes: 2 additions & 2 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -12,13 +12,13 @@
setup(
name = 'metbit',
packages = ['metbit'],
version = '6.7.1',
version = '6.7.2',
license='MIT',
description = 'Metabolomics data analysis and visualization tools.',
author = 'aeiwz',
author_email = '[email protected]',
url = 'https://github.com/aeiwz/metbit.git',
download_url = 'https://github.com/aeiwz/metbit/archive/refs/tags/V6.7.1.tar.gz',
download_url = 'https://github.com/aeiwz/metbit/archive/refs/tags/V6.7.2.tar.gz',
keywords = ['Omics', 'Multivariate analysis', 'Visualization', 'Data Analysis', 'Metabolomics', 'Chemometrics'],
install_requires=[
'scikit-learn',
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