In [1]:

    

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


%matplotlib notebook

import pandas as pd


    

    




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

In [12]:

    

#make file info template sheet by selecting a folder:
# bpb@edison06:/project/projectdirs/metatlas/raw_data/lpsilva> ls -lta
# total 3584
# drwxrws--- 17 silvest metatlas 131072 Oct 11 10:18 ..
# drwxrws---  2 silvest metatlas 131072 Sep 29 15:30 Actinobacillus test
# drwxrws---  2 silvest metatlas 262144 Sep 29 14:13 20150521_LPSilva_Actino_C18_NEG_51isolates
# drwxrws---  2 silvest metatlas 262144 Sep 29 13:43 20150514_LPSilva_Actino_C18_POS_51isolates
# drwxrws---  2 silvest metatlas 262144 Sep 29 13:09 20150512_LPSilva_Actino_HILIC_NEG_51isolates
# drwxrws---  2 silvest metatlas 262144 Sep 29 11:46 20150504_LPSilva_Actino_HILIC_POS_51isolates
# files = metob.retrieve('LcmsRun',mzml_file='%katezh/20151016_%')
files = metob.retrieve('LcmsRun',mzml_file='%_SJ_HM_%', username='*')
# files = metob.retrieve('LcmsRun',mzml_file='%_LPSilva_Actino_%_51isolates%', username='*')
flist = []
for f in files:
    flist.append(f.mzml_file)
import numpy as np
flist = np.unique(flist)
print len(flist)


    

    




435

In [14]:

    

files[0]


    

    
Out[14]:





{'creation_time': '2015-12-14T19:43:22',
 'description': u'Human Microbiome- Arkin Lab SJ_HM_6550_151018_EL0A_Neg_098.mzML',
 'experiment': u'Human Microbiome- Arkin Lab',
 'hdf5_file': u'/global/project/projectdirs/metatlas/raw_data/sjenkins/Human Microbiome- Arkin Lab/SJ_HM_6550_151018_EL0A_Neg_098.h5',
 'head_id': u'a2099fd30e244e7980dab93317131129',
 'last_modified': '2015-12-14T19:50:15',
 'method': None,
 'mzml_file': u'/global/project/projectdirs/metatlas/raw_data/sjenkins/Human Microbiome- Arkin Lab/SJ_HM_6550_151018_EL0A_Neg_098.mzML',
 'name': u'SJ_HM_6550_151018_EL0A_Neg_098.mzML',
 'prev_uid': u'origin',
 'sample': None,
 'unique_id': u'a2099fd30e244e7980dab93317131129',
 'username': u'pasteur'}

In [13]:

    

#dump all the files to a spreadheet, download it, and make a "filled in" one.
with open('FileInfo_Sheet_Unique_HM_Arkin_All.tab','w') as fid:
    fid.write('mzml_file\tgroup\tdescription\n')
    for f in flist:
        fid.write('%s\t\t\n'%f)


    

In [3]:

    

#Download the fileinfo sheet and fill it in!
df = pd.read_csv('../atlas_finfo_to_be_loaded/20160106_FileInfoSheet_neg_hilic_r2a.txt',sep='\t')
df


    

    
Out[3]:






  

    

      

      
mzml_file
      
group
      
description
    
  
  

    

      
0
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
1
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
2
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
3
      
/project/projectdirs/metatlas/raw_data/lpsilva...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
4
      
/project/projectdirs/metatlas/raw_data/bpb/201...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
5
      
/project/projectdirs/metatlas/raw_data/bpb/201...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
6
      
/project/projectdirs/metatlas/raw_data/bpb/201...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
7
      
/project/projectdirs/metatlas/raw_data/bpb/201...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
    

      
8
      
/project/projectdirs/metatlas/raw_data/bpb/201...
      
Replicate_Analysis_R2A_HILIC_neg
      
NaN
    
  

In [4]:

    

grouped = df.groupby(by='group')
# list(grouped)


    

In [6]:

    

grouped.groups.keys()


    

    
Out[6]:





['Replicate_Analysis_R2A_HILIC_neg']

In [13]:

    

metob.retrieve('LcmsRun',mzml_file='%0150115_pHILIC_NEG_MSMS_R2A-1An%',username='*')


    

    
Out[13]:





[{'creation_time': '2016-01-06T19:11:36',
  'description': u'20160106_Hilic_Neg_Actinobacteria_lpsilva_R2A_Files 20150115_pHILIC_NEG_MSMS_R2A-1An.mzML',
  'experiment': u'20160106_Hilic_Neg_Actinobacteria_lpsilva_R2A_Files',
  'hdf5_file': u'/global/project/projectdirs/metatlas/raw_data/bpb/20160106_Hilic_Neg_Actinobacteria_lpsilva_R2A_Files/20150115_pHILIC_NEG_MSMS_R2A-1An.h5',
  'head_id': u'4180465815ef4326a60893ad18f6ba45',
  'last_modified': '2016-01-06T19:22:37',
  'method': None,
  'mzml_file': u'/global/project/projectdirs/metatlas/raw_data/bpb/20160106_Hilic_Neg_Actinobacteria_lpsilva_R2A_Files/20150115_pHILIC_NEG_MSMS_R2A-1An.mzML',
  'name': u'20150115_pHILIC_NEG_MSMS_R2A-1An.mzML',
  'prev_uid': u'origin',
  'sample': None,
  'unique_id': u'4180465815ef4326a60893ad18f6ba45',
  'username': u'pasteur'}]

In [15]:

    

for g in grouped.groups.keys():
    indices = grouped.groups[g]
    myGroup = metob.Group()
    myGroup.name = '20160106_%s'%g
    myGroup.description = 'none'#df.loc[indices[0],'description']
    file_set = []
    for i in indices:
        file_set.append(metob.retrieve('LcmsRun',mzml_file='%%%s'%df.loc[i,'mzml_file'],username='*')[0])
    myGroup.items = file_set
    metob.store(myGroup)


    

In [11]:

    

g = metob.retrieve('Groups',name = 'Avena_Hopland_KZ_%')
print len(g)
for gg in g:
    for i in gg.items:
        print gg.name,i.hdf5_file
    print " "


    

    




38
Avena_Hopland_KZ_RootExu_9wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_9wk_1_of_4_MeOHExt_MeOHBlank_Run18.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_9wk_2_of_4_MeOHExt_MeOHBlank_Run52.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_9wk_3_of_4_MeOHExt_MeOHBlank_Run41.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_9wk_4_of_4_MeOHExt_MeOHBlank_Run25.h5
 
Avena_Hopland_KZ_RootCass_6_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_6_MeOH_2ul____Run75.h5
 
Avena_Hopland_KZ_RootExu_control_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExuControl__1_of_2_MeOHExt__Run8.h5
Avena_Hopland_KZ_RootExu_control_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExuControl__2_of_2_MeOHExt__Run42.h5
 
Avena_Hopland_KZ_RootCass_8_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_8_MeOH_2ul____Run79.h5
 
Avena_Hopland_KZ_RootCass_10_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_10_MeOH_2ul____Run83.h5
 
Avena_Hopland_KZ_RootCass_4_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_4_MeOH_2ul____Run70.h5
 
Avena_Hopland_KZ_RootCass_3_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_3_MeOH_2ul____Run69.h5
 
Avena_Hopland_KZ_RootExu_6wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_6wk_1_of_4_MeOHExt__Run14.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_6wk_2_of_4_MeOHExt__Run48.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_6wk_3_of_4_MeOHExt__Run33.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_6wk_4_of_4_MeOHExt__Run57.h5
 
Avena_Hopland_KZ_RootCass_9_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_9_MeOH_2ul____Run80.h5
 
Avena_Hopland_KZ_RootExu_3wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_3wk_1_of_4_MeOHExt__Run10.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_3wk_2_of_4_MeOHExt__Run53.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_3wk_3_of_4_MeOHExt__Run35.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_3wk_4_of_4_MeOHExt__Run26.h5
 
Avena_Hopland_KZ_RootExu_6wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_6wk_1_of_4_MeOHExt_MeOHBlank_Run15.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_6wk_2_of_4_MeOHExt_MeOHBlank_Run49.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_6wk_3_of_4_MeOHExt_MeOHBlank_Run34.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_6wk_4_of_4_MeOHExt_MeOHBlank_Run58.h5
 
Avena_Hopland_KZ_MeOHBlank_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_MeOHBlank_PRE_3_____Run3.h5
 
Avena_Hopland_KZ_RootCass_9_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_9_MeOH_2ul____Run81.h5
 
Avena_Hopland_KZ_MeOHBlank_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_MeOHBlank_PRE_2_____Run2.h5
Avena_Hopland_KZ_MeOHBlank_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_MeOHBlank_PRE_4_____Run4.h5
Avena_Hopland_KZ_MeOHBlank_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_MeOHBlank_PRE_7_____Run7.h5
 
Avena_Hopland_KZ_RootCass_4_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_4_MeOH_2ul____Run71.h5
 
Avena_Hopland_KZ_RootCass_7_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_7_MeOH_2ul____Run76.h5
 
Avena_Hopland_KZ_RootExu_12wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_12wk_1_of_4_MeOHExt__Run19.h5
Avena_Hopland_KZ_RootExu_12wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_12wk_2_of_4_MeOHExt__Run59.h5
Avena_Hopland_KZ_RootExu_12wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_12wk_3_of_4_MeOHExt__Run29.h5
Avena_Hopland_KZ_RootExu_12wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_12wk_4_of_4_MeOHExt__Run44.h5
 
Avena_Hopland_KZ_ITSD_fps /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_ITSD_2uL_MeOH_PRE_6_____Run6.h5
Avena_Hopland_KZ_ITSD_fps /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_ITSD_2uL_MeOH_PRE_6_____Run63.h5
 
Avena_Hopland_KZ_RootExu_3wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_3wk_1_of_4_MeOHExt__Run11.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_3wk_2_of_4_MeOHExt__Run54.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_3wk_3_of_4_MeOHExt__Run36.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_3wk_4_of_4_MeOHExt__Run27.h5
 
Avena_Hopland_KZ_RootCass_1_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_1_MeOH_2ul____Run65.h5
 
Avena_Hopland_KZ_RootExu_3wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_3wk_1_of_4_MeOHExt_MeOHBlank_Run12.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_3wk_2_of_4_MeOHExt_MeOHBlank_Run55.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_3wk_3_of_4_MeOHExt_MeOHBlank_Run37.h5
Avena_Hopland_KZ_RootExu_3wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_3wk_4_of_4_MeOHExt_MeOHBlank_Run28.h5
 
Avena_Hopland_KZ_RootCass_5_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_5_MeOH_2ul____Run72.h5
 
Avena_Hopland_KZ_RootCass_6_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_6_MeOH_2ul____Run74.h5
 
Avena_Hopland_KZ_RootCass_3_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_3_MeOH_2ul____Run68.h5
 
Avena_Hopland_KZ_RootExu_6wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_6wk_1_of_4_MeOHExt__Run13.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_6wk_2_of_4_MeOHExt__Run47.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_6wk_3_of_4_MeOHExt__Run32.h5
Avena_Hopland_KZ_RootExu_6wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_6wk_4_of_4_MeOHExt__Run56.h5
 
Avena_Hopland_KZ_RootExu_9wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_9wk_1_of_4_MeOHExt__Run17.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_9wk_2_of_4_MeOHExt__Run51.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_9wk_3_of_4_MeOHExt__Run39.h5
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Avena_Hopland_KZ_RootExu_12wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_12wk_1_of_4_MeOHExt__Run20.h5
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Avena_Hopland_KZ_RootExu_12wk_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootExu_12wk_4_of_4_MeOHExt__Run45.h5
 
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Avena_Hopland_KZ_RootCass_10_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootCass_10_MeOH_2ul____Run82.h5
 
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Avena_Hopland_KZ_RootExu_12wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_12wk_2_of_4_MeOHExt_MeOHBlank_Run61.h5
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Avena_Hopland_KZ_RootExu_12wk_hilic_fps_BLANK /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___FPS_MS_KZ_RootExu_12wk_4_of_4_MeOHExt_MeOHBlank_Run46.h5
 
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Avena_Hopland_KZ_RootExu_9wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_9wk_2_of_4_MeOHExt__Run50.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_9wk_3_of_4_MeOHExt__Run38.h5
Avena_Hopland_KZ_RootExu_9wk_hilic_pos /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___POS_MSMS_KZ_RootExu_9wk_4_of_4_MeOHExt__Run22.h5
 
Avena_Hopland_KZ_RootCass_7_hilic_neg /global/project/projectdirs/metatlas/raw_data/katezh/20151016_KZ_RootExu_pHILIC_QExactive/20151016_pHILIC___NEG_MSMS_KZ_RootCass_7_MeOH_2ul____Run77.h5
 

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