From 9f7ee3627e768978101242ac87cbe7e9cb2c1a5d Mon Sep 17 00:00:00 2001 From: Lilferrit Date: Thu, 14 Nov 2024 15:08:53 -0800 Subject: [PATCH] experimental m/z bug fix --- casanovo/denovo/model.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/casanovo/denovo/model.py b/casanovo/denovo/model.py index 8a2b421f..c202e089 100644 --- a/casanovo/denovo/model.py +++ b/casanovo/denovo/model.py @@ -919,8 +919,8 @@ def on_predict_batch_end( spectrum_id=tuple(spectrum_i), peptide_score=peptide_score, charge=int(charge), - calc_mz=precursor_mz, - exp_mz=self.peptide_mass_calculator.mass(peptide, charge), + calc_mz=self.peptide_mass_calculator.mass(peptide, charge), + exp_mz=precursor_mz, aa_scores=aa_scores, ) )