mzLib
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mzml writing output does not work for TDPortal
- [x] MsConvert
- [x] SeeMs
Need to:
- [x] Write chromatogram
- [x] Write Indexed mzml
Maybe instead of writing index it is easier to write an unindexed mzml file
Rough structure of a method for writing indexed mzmls:
- Write non-indexed mzML to memory
- Calculated indices of scans by reading the stream as a binary stream
- Discard the non-indexed mzML from memory
- 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.