diff --git a/local_integration_msms.py b/local_integration_msms.py index 2b226efff864e1c119a12225e99acd81fd49817c..3278ce3c3474b3f435b4fd855405bc05f838151a 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)