Skip to content
New issue

Have a question about this project? # for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “#”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? # to your account

Problem converting msp to MassBank #27

Open
RTNGH opened this issue Oct 2, 2017 · 0 comments
Open

Problem converting msp to MassBank #27

RTNGH opened this issue Oct 2, 2017 · 0 comments

Comments

@RTNGH
Copy link

RTNGH commented Oct 2, 2017

When trying to convert this file
http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/MSDIAL-LipidDBs-VS23-FiehnO.msp
the following problems were found:

  1. the results look invalid (missing line breaks)
  2. the conversion stops after a while with this exception

[...]
ID -> SU000090
numPeaks -> 2 #split -> 1
85.02841 800 "[C4H5O2]+" 526.3891 999 "[M]+"
2
ID -> SU000091
numPeaks -> 3 #split -> 3
229.1798 999 "[SN1+C3H5O]+ || [SN2+C3H5O]+" 383.3167 50 "[M-C3H8O6P]+" 572.3558 50 "[M+NH4]+"
5
Exception in thread "main" java.lang.ArrayIndexOutOfBoundsException: 5
at de.ipbhalle.converter.LibraryToMassBank.convertFile(LibraryToMassBank.java:623)
at de.ipbhalle.converter.LibraryToMassBank.main(LibraryToMassBank.java:162)
at de.ipbhalle.converter.ConverterMain.setupArgs(ConverterMain.java:133)
at de.ipbhalle.converter.ConverterMain.main(ConverterMain.java:163)

# for free to join this conversation on GitHub. Already have an account? # to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant