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pymzml / pymzML

pymzML - an interface between Python and mzML Mass spectrometry Files
https://pymzml.readthedocs.io/en/latest/
MIT License
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[FIX] undo check for TIC #16

Closed hroest closed 10 years ago

hroest commented 10 years ago

TIC does not need to be present in a valid mzML, requiring it to be present in all cases causes many valid mzML files to not be parsed at all.

undo commit ef404d671b0afc6dc03be4d03715fd068de54f96

hroest commented 10 years ago

It is not clear to me why it should be necessary for the parsing to have an entry called "TIC" in the list of chromatograms. If this is required, many valid mzML files will not be parsed at all due to this which limits the usability of the library.

fu commented 10 years ago

Never came across a mzML without TIC, but then again, why would it be mandatory. Thanks

hroest commented 10 years ago

We regularly have those, e.g. when we have SRM traces only in an mzML. E.g. all the entries in the mzML would be chromatograms (and there are no spectra) but none of them are a TIC.

fu commented 10 years ago

ok, perfect then :) Thanks for the patch!