Skip to content
New issue

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

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

Already on GitHub? Sign in 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)

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

No branches or pull requests

1 participant