Mercurial > repos > pieterlukasse > prims_metabolomics

diff query_mass_repos.py @ 30:60b53f2aa48a

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Small fixes, added microminutes support to MsClust, removed TIC or MsClust output
author pieter.lukasse@wur.nl
date Sat, 30 Aug 2014 16:14:18 +0200
parents 85fd05d0d16c
children
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--- a/query_mass_repos.py	Fri May 09 17:11:11 2014 +0200
+++ b/query_mass_repos.py	Sat Aug 30 16:14:18 2014 +0200
@@ -276,7 +276,7 @@
     # Query data against repository :
     enriched_data = _query_and_add_data(input_data, molecular_mass_col, repository_dblink, error_margin, margin_unit)
     headers = input_data.keys() + ['SEARCH hits for ','SEARCH hits: db-names', 'SEARCH hits: molecular-formulas ',
-                                   'SEARCH hits: ids','SEARCH hits: descriptions', 'Link to SEARCH hits']
+                                   'SEARCH hits: ids','SEARCH hits: descriptions', 'Link to SEARCH hits']  #TODO - add min and max formula weigth columns
 
     _save_data(enriched_data, headers, output_result)