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mzml writing output does not work for TDPortal

Open stefanks opened this issue 8 years ago • 2 comments

  • [x] MsConvert
  • [x] SeeMs

Need to:

  • [x] Write chromatogram
  • [x] Write Indexed mzml

stefanks avatar Jan 06 '17 21:01 stefanks

Maybe instead of writing index it is easier to write an unindexed mzml file

stefanks avatar Feb 25 '17 15:02 stefanks

Rough structure of a method for writing indexed mzmls:

  1. Write non-indexed mzML to memory
  2. Calculated indices of scans by reading the stream as a binary stream
  3. Discard the non-indexed mzML from memory
  4. Write the indexed mzML using the xsd generated class and the computed indices

The specification is here: https://github.com/HUPO-PSI/mzML/raw/master/specification_document/mzML1.1.0_specificationDocument.doc

Note that there is a need to also write the indexListOffset element, which is the file pointer offset (in bytes) of the 'indexList' element, and the fileChecksum element which is the SHA-1 checksum from beginning of file to end of 'fileChecksum' open tag.

stefanks avatar Mar 16 '17 17:03 stefanks