diff --git a/alignement.py b/alignement.py index b2d01b49e7edb488a333b352e01d68e5b8048ae5..8e4aa513531c3f4163fb108fd78f45cff4c23baf 100644 --- a/alignement.py +++ b/alignement.py @@ -224,16 +224,16 @@ df_3 = pd.read_pickle('database/data_prosit_threshold_3.pkl') df_3['Sequence']= df_3['Sequence'].map(numerical_to_alphabetical_str) df_augmented_1 = pd.concat([df_1,df_base],axis=0).reset_index(drop=True) -df_augmented_1.columns=['sequence','retention_time'] +df_augmented_1.columns=['sequence','irt'] df_augmented_1['state']='train' df_augmented_1.to_csv('database/data_ISA_augmented_1.csv') df_augmented_2 = pd.concat([df_2,df_base],axis=0).reset_index(drop=True) -df_augmented_2.columns=['sequence','retention_time'] +df_augmented_2.columns=['sequence','irt'] df_augmented_2['state']='train' df_augmented_2.to_csv('database/data_ISA_augmented_2.csv') df_augmented_3 = pd.concat([df_3,df_base],axis=0).reset_index(drop=True) -df_augmented_3.columns=['sequence','retention_time'] +df_augmented_3.columns=['sequence','irt'] df_augmented_3['state']='train' df_augmented_3.to_csv('database/data_ISA_augmented_3.csv') \ No newline at end of file diff --git a/database/data_ISA_augmented_1.csv b/database/data_ISA_augmented_1.csv index a14cc90a8cf560d643608eac7a9e67e12c57b6ae..646258821a3b81da4e2cd8fa5628fb874c2135b9 100644 --- a/database/data_ISA_augmented_1.csv +++ b/database/data_ISA_augmented_1.csv @@ -1,4 +1,4 @@ -,sequence,retention_time,state +,sequence,irt,state 0,QLAPPYSGR,26.43134307861328,train 1,NQSLTLIELLK,139.01040649414062,train 2,GYELLFQPEVVR,118.29725646972656,train diff --git a/database/data_ISA_augmented_2.csv b/database/data_ISA_augmented_2.csv index cd7e789b03f7013803e6f4405e86b50f0df7275a..3bbb60267b210cbab3010a3105d35a97d092edc6 100644 --- a/database/data_ISA_augmented_2.csv +++ b/database/data_ISA_augmented_2.csv @@ -1,4 +1,4 @@ -,sequence,retention_time,state +,sequence,irt,state 0,NTASHTAAAARTQAPPTPDK,-10.377433776855469,train 1,QLAPPYSGR,26.43134307861328,train 2,ELATWTPTEFR,92.1288604736328,train diff --git a/database/data_ISA_augmented_3.csv b/database/data_ISA_augmented_3.csv index 9dde84314f7fcea66f49d1f13ac45ccf1657ce99..fb7f66759a5fe8564ee5611b6314a20e19a93f9b 100644 --- a/database/data_ISA_augmented_3.csv +++ b/database/data_ISA_augmented_3.csv @@ -1,4 +1,4 @@ -,sequence,retention_time,state +,sequence,irt,state 0,GSTDDGFIILK,96.57299041748048,train 1,LYTGAGYDEVK,34.17017364501953,train 2,NTASHTAAAARTQAPPTPDK,-10.377433776855469,train