From 4f744c5feeb53d7899ac3a5ba0faaf60c2854675 Mon Sep 17 00:00:00 2001 From: Ralf Gabriels Date: Mon, 24 Jun 2019 15:34:20 +0200 Subject: [PATCH] Add 'RetentionTimeMins' to MSP output (fix) --- ms2pip_tools/spectrum_output.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ms2pip_tools/spectrum_output.py b/ms2pip_tools/spectrum_output.py index 4bc073e4..119bde36 100644 --- a/ms2pip_tools/spectrum_output.py +++ b/ms2pip_tools/spectrum_output.py @@ -134,7 +134,7 @@ def write_msp(all_preds_in, peprec_in, output_filename, write_mode='wt+'): out.append('\nCharge: {}\n'.format(charge)) if add_rt: - out.append('RetentionTimeMins: {}\n'.format(peprec_sel[rt_index] * 60)) + out.append('RetentionTimeMins: {}\n'.format(peprec_sel[rt_index] / 60)) out.append('Num peaks: {}\n'.format(numpeaks))