Mercurial > repos > fgiacomoni > hmdb_ms_search
comparison lib/hmdb.pm @ 24:d8e2ede293a6 draft
Prod branch Updating with v.:CI_COMMIT_TAG- - Fxx
| author | fgiacomoni |
|---|---|
| date | Thu, 19 May 2022 14:41:34 +0000 |
| parents | 2d8a310e86ce |
| children | 8f7546d0b925 |
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| 23:2d8a310e86ce | 24:d8e2ede293a6 |
|---|---|
| 708 ## NEW HMDB format V5.0 - May2022 | 708 ## NEW HMDB format V5.0 - May2022 |
| 709 if ($line !~ /query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m\/z,"delta\(ppm\),",ccs_value/) { | 709 if ($line !~ /query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m\/z,"delta\(ppm\),",ccs_value/) { |
| 710 #query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,"delta(ppm),",ccs_value', | 710 #query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,"delta(ppm),",ccs_value', |
| 711 | 711 |
| 712 if ( $line =~ /(\d+\.\d+),(\w+),(.*),(\w+),(\d+\.\d+),([\w|n\/a|\s+]+)\s*,(\+|\-),(\d+\.\d+),(\d+),(\d*)/ ) { | 712 if ( $line =~ /(\d+\.\d+),(\w+),(.*),(\w+),(\d+\.\d+),([\w|n\/a|\s+]+)\s*,(\+|\-),(\d+\.\d+),(\d+),(\d*)/ ) { |
| 713 print "$line\n" ; | 713 #print "$line\n" ; |
| 714 #if ( $line =~ /(\d+\.\d+),(\w+),(.*),([\w|n\/a|\s+]+)\s*,(\w+),(\d+\.\d+),(.*),(\+|\-),(\d+\.\d+),(\d+)/ ) { | 714 #if ( $line =~ /(\d+\.\d+),(\w+),(.*),([\w|n\/a|\s+]+)\s*,(\w+),(\d+\.\d+),(.*),(\+|\-),(\d+\.\d+),(\d+)/ ) { |
| 715 my @entry = ("$1","$2","$3","$4","$5","$6","$7","$8","$9","$10") ; | 715 my @entry = ("$1","$2","$3","$4","$5","$6","$7","$8","$9","$10") ; |
| 716 | 716 |
| 717 if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; } | 717 if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; } |
| 718 | 718 |