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Hi, for some mzML from a Bruker microTOFq converted with msconvert I am getting an exception
when running mzml2isa -i test -o /tmp/MTBLS4823/ -s MTBLS4823 with mzml2isa version 1.1.1
Traceback (most recent call last):
File "/home/sneumann/.local/bin/mzml2isa", line 8, in <module>
sys.exit(main())
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/parsing.py", line 251, in main
convert(
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/parsing.py", line 129, in convert
metalist = list(map(_parse_file, files_iter))
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/utils.py", line 122, in new_func
return func(*args)
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/parsing.py", line 56, in _parse_file
return parser(filesystem, path).metadata
File "/usr/lib/python3.10/functools.py", line 981, in __get__
val = self.func(instance)
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/mzml.py", line 1264, in metadata
self._extract_assay_parameters(meta)
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/mzml.py", line 964, in _extract_assay_parameters
for element in self._find_xpath(self._XPATHS[location]):
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/mzml.py", line 857, in _find_xpath
ns = self.namespaces
File "/usr/lib/python3.10/functools.py", line 981, in __get__
val = self.func(instance)
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/mzml.py", line 803, in namespaces
root = self.tree.getroot()
File "/usr/lib/python3.10/functools.py", line 981, in __get__
val = self.func(instance)
File "/home/sneumann/.local/lib/python3.10/site-packages/mzml2isa/mzml.py", line 795, in tree
return etree.parse(self.fs.getsyspath(self.path))
File "/usr/lib/python3.10/xml/etree/ElementTree.py", line 1222, in parse
tree.parse(source, parser)
File "/usr/lib/python3.10/xml/etree/ElementTree.py", line 580, in parse
self._root = parser._parse_whole(source)
xml.etree.ElementTree.ParseError: no element found: line 56013, column 0
=> This is because the mzML ended prematurely, because the Bruker *.d also aborted prematurely during the run, the mzML ends with :
</binaryDataArray>
</binaryDataArrayList>
</spectrum>
So the only fix would be to xml lint the files prior to proper parsing. Feel free to close this issue right away.
Yours,
Steffen
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