From 9f540922e7dc148725b39691a8b136a00255f8a8 Mon Sep 17 00:00:00 2001 From: Yasset Perez-Riverol Date: Tue, 3 Dec 2024 10:05:44 +0000 Subject: [PATCH] fix bug. --- quantmsutils/psm/psm_conversion.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/quantmsutils/psm/psm_conversion.py b/quantmsutils/psm/psm_conversion.py index b6340b8..e10bed1 100644 --- a/quantmsutils/psm/psm_conversion.py +++ b/quantmsutils/psm/psm_conversion.py @@ -7,6 +7,8 @@ import pandas as pd import pyopenms as oms +from quantmsutils.utils.constants import SCAN, MZ_ARRAY, INTENSITY_ARRAY + _parquet_field = [ "sequence", "protein_accessions", @@ -113,9 +115,9 @@ def convert_psm( ) if isinstance(spectra_df, pd.DataFrame): - spectra = spectra_df[spectra_df["scan"] == scan_number] - mz_array = spectra["mz"].values - intensity_array = spectra["intensity"].values + spectra = spectra_df[spectra_df[SCAN] == scan_number] + mz_array = spectra[MZ_ARRAY].values + intensity_array = spectra[INTENSITY_ARRAY].values num_peaks = len(mz_array) for hit in peptide_id.getHits():