From 96b82f6a89882934e02c83afeadf43e2c569d714 Mon Sep 17 00:00:00 2001
From: Schneider Leo <leo.schneider@etu.ec-lyon.fr>
Date: Tue, 22 Oct 2024 17:53:51 +0200
Subject: [PATCH] datasets

---
 alignement.py                           |     16 +-
 database/data_ISA_augmented_1_30_01.csv | 156136 ++++++++++-----------
 database/data_ISA_augmented_2_30_01.csv | 156136 ++++++++++-----------
 database/data_ISA_augmented_3_30_01.csv | 156136 ++++++++++-----------
 4 files changed, 234212 insertions(+), 234212 deletions(-)

diff --git a/alignement.py b/alignement.py
index b246561..c74f299 100644
--- a/alignement.py
+++ b/alignement.py
@@ -183,14 +183,14 @@ def compare_include_df(df, sub_df, save = True, path = 'temp.png'):
 # dataset_train.to_pickle('database/data_DIA_ISA_55_test.pkl')
 
 # data_train_1 = pd.read_pickle('database/data_DIA_ISA_55_test_30_01.pkl').reset_index(drop=True)
-# data_train_2 = pd.read_pickle('database/data_DIA_ISA_55_train_30_01.pkl').reset_index(drop=True)
-# data_ori = pd.read_csv('database/data_train.csv').reset_index(drop=True)
-# data_ori['Sequence']=data_ori['sequence']
-# data_ori['Retention time']=data_ori['irt']
+data_train_2 = pd.read_pickle('database/data_DIA_ISA_55_train_30_01.pkl').reset_index(drop=True)
+data_ori = pd.read_csv('database/data_train.csv').reset_index(drop=True)
+data_ori['Sequence']=data_ori['sequence']
+data_ori['Retention time']=data_ori['irt']
 # data_train = pd.concat([data_train_2,data_train_1]).reset_index(drop=True)
-# data_align = align(data_train, data_ori)
-#
-# data_align.to_pickle('database/data_ISA_dual_align.pkl')
+data_align = align(data_train_2, data_ori)
+
+data_align.to_pickle('database/data_ISA_dual_align_train.pkl')
 
 
 #compare DIANN pred to DIA mesures
@@ -211,7 +211,7 @@ def compare_include_df(df, sub_df, save = True, path = 'temp.png'):
 
 
 # create augmented dataset from ISA data + column invariant prosit peptides
-df_base = pd.read_pickle('database/data_DIA_ISA_55_train_30_01.pkl')
+df_base = pd.read_pickle('database/data_ISA_dual_align_train.pkl')
 df_base = df_base[['Sequence','Retention time']]
 
 df_1 = pd.read_pickle('database/data_prosit_threshold_1.pkl')
diff --git a/database/data_ISA_augmented_1_30_01.csv b/database/data_ISA_augmented_1_30_01.csv
index c37be1d..8db4a37 100644
--- a/database/data_ISA_augmented_1_30_01.csv
+++ b/database/data_ISA_augmented_1_30_01.csv
@@ -1258,78071 +1258,78071 @@
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index d2a0545..a90b81e 100644
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diff --git a/database/data_ISA_augmented_3_30_01.csv b/database/data_ISA_augmented_3_30_01.csv
index 257780f..d920175 100644
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