In [1]:

    

%matplotlib notebook
import sys
import pandas as pd

sys.path.insert(0,'/global/project/projectdirs/metatlas/anaconda/lib/python2.7/site-packages' )
from metatlas import metatlas_objects as metob
import qgrid


    

    




:0: FutureWarning: IPython widgets are experimental and may change in the future.

In [7]:

    

# my_rem_file = '20151210_FileInfoSheet_Archetypes_files to delete_C18.csv'
my_rem_file = '../atlas_finfo_to_be_loaded/20151217_FileInfoSheet_Archetypes_files to delete_zoo_duplicates.csv'
df = pd.read_csv(my_rem_file,sep=',')
df


    

    
Out[7]:






  

    

      

      
mzml_file
      
group
      
description
    
  
  

    

      
0
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_pos
      
NaN
    
    

      
1
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_pos
      
NaN
    
    

      
2
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_pos
      
NaN
    
    

      
3
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_pos
      
NaN
    
    

      
4
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_pos
      
NaN
    
    

      
5
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_pos
      
NaN
    
    

      
6
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_pos
      
NaN
    
    

      
7
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_pos
      
NaN
    
    

      
8
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_pos
      
NaN
    
    

      
9
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_pos
      
NaN
    
    

      
10
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_pos
      
NaN
    
    

      
11
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_pos
      
NaN
    
    

      
12
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_pos
      
NaN
    
    

      
13
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_pos
      
NaN
    
    

      
14
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L2B36_HILIC_pos
      
NaN
    
    

      
15
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_neg
      
NaN
    
    

      
16
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_neg
      
NaN
    
    

      
17
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_neg
      
NaN
    
    

      
18
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_neg
      
NaN
    
    

      
19
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE08_HILIC_neg
      
NaN
    
    

      
20
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_neg
      
NaN
    
    

      
21
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_neg
      
NaN
    
    

      
22
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_neg
      
NaN
    
    

      
23
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HE19_HILIC_neg
      
NaN
    
    

      
24
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_neg
      
NaN
    
    

      
25
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_neg
      
NaN
    
    

      
26
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_neg
      
NaN
    
    

      
27
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_neg
      
NaN
    
    

      
28
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_L1B20_HILIC_neg
      
NaN
    
    

      
29
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_neg
      
NaN
    
    

      
...
      
...
      
...
      
...
    
    

      
32
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_neg
      
NaN
    
    

      
33
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_pos
      
NaN
    
    

      
34
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_pos
      
NaN
    
    

      
35
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_pos
      
NaN
    
    

      
36
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K4D1B20_HILIC_pos
      
NaN
    
    

      
37
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_pos
      
NaN
    
    

      
38
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_pos
      
NaN
    
    

      
39
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_pos
      
NaN
    
    

      
40
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_pos
      
NaN
    
    

      
41
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_neg
      
NaN
    
    

      
42
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_neg
      
NaN
    
    

      
43
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_neg
      
NaN
    
    

      
44
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K3L1B56_HILIC_neg
      
NaN
    
    

      
45
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_pos
      
NaN
    
    

      
46
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_pos
      
NaN
    
    

      
47
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_pos
      
NaN
    
    

      
48
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_pos
      
NaN
    
    

      
49
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_pos
      
NaN
    
    

      
50
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_pos
      
NaN
    
    

      
51
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_pos
      
NaN
    
    

      
52
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_pos
      
NaN
    
    

      
53
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_pos
      
NaN
    
    

      
54
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_neg
      
NaN
    
    

      
55
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_Blank_HILIC_neg
      
NaN
    
    

      
56
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_neg
      
NaN
    
    

      
57
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_HA26_HILIC_neg
      
NaN
    
    

      
58
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_neg
      
NaN
    
    

      
59
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_neg
      
NaN
    
    

      
60
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_neg
      
NaN
    
    

      
61
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
LS_Archetypes_K2D1B56_HILIC_neg
      
NaN
    
  

62 rows × 3 columns

In [8]:

    

groups = metob.retrieve('Groups',name='%%%s'%df.loc[0,'group'],username='*')

for g in groups:
    print g.name
    items = []
    to_save = 0
    for f in g.items:
        print f.description


    

    




20151130_LS_Archetypes_HE08_HILIC_pos

In [9]:

    

# files = metob.retrieve('LcmsRun',mzml_file=df.loc[0,'mzml_file'],username='*')
for i, row in df.iterrows():
    groups = metob.retrieve('Groups',name='%%%s'%df.loc[i,'group'],username='*')
    for g in groups:
        items = []
        to_save = 0
        for f in g.items:
            if not df.loc[i,'mzml_file'] in f.mzml_file:
                items.append(f)
            else:
                to_save = 1
        if to_save == 1:
            g.items = items
            metob.store(g)


    

In [ ]: