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check metabolite name given in EIC input table
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axelwalter committed Jun 5, 2024
1 parent 94ac9fd commit 230ce0e
Showing 1 changed file with 5 additions and 0 deletions.
5 changes: 5 additions & 0 deletions src/eic.py
Original file line number Diff line number Diff line change
Expand Up @@ -54,6 +54,11 @@ def extract_chromatograms(results_dir, mzML_files, df_input, mz_unit, mz_ppm, mz
st.error("Metabolite names need to be unique.")
status.update(label="Error!", state="error", expanded=True)
return

if any(df_input["name"].isna()):
st.error("Enter a name for each metabolite.")
status.update(label="Error!", state="error", expanded=True)
return

# Drop all rows without mz value
df_input = df_input[df_input['mz'].notna()]
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