From b98ceb477f093325ad3c320f2106e05470fa5288 Mon Sep 17 00:00:00 2001
From: Schneider Leo <leo.schneider@etu.ec-lyon.fr>
Date: Fri, 8 Nov 2024 15:29:42 +0100
Subject: [PATCH] datasets
---
local_integration_msms.py | 9 +++++++++
1 file changed, 9 insertions(+)
diff --git a/local_integration_msms.py b/local_integration_msms.py
index 2b226ef..3278ce3 100644
--- a/local_integration_msms.py
+++ b/local_integration_msms.py
@@ -104,6 +104,15 @@ def intensity_coverage(int_expe,int_theo):
coverage = np.sum(np.where(int_theo>0,int_expe,0))/np.sum(int_expe)
return coverage
+def window_and_filter(df, RT_min, RT_max, MS1_mz_min, MS2_mz_max, threshold):
+ df_filtered = df[df['MSlevel'] == 2]
+ df_filtered = df_filtered[MS1_mz_min < df['MS1_mz_max']]
+ df_filtered = df_filtered[MS2_mz_max > df['MS1_mz_min']]
+ df_filtered = df_filtered[RT_min < df['RT']]
+ df_filtered = df_filtered[RT_max > df['RT']]
+ df_filtered = df_filtered[df_filtered['inty']>threshold]
+ return df_filtered
+
if __name__ == "__main__":
e = oms.MSExperiment()
oms.MzMLFile().load("data/echantillons données DIA/CITAMA-5-AER-d200.mzML", e)
--
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