datasets

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)