MzML is a standard data format for encoding mass spectrometry data. For more information see mzML the specification at psidev.info/index.php?q=node/257
This library is a non-validating, read-only mzML parser for mzML version 1.1.x
It is built on top of the nokogiri gem for XML parsing, which itself relies on the libxml2 C library. The library It is relatively fast
require 'mzml' mzml = MzML::Doc.open("test.mzXML") # to iterate through spectra mzml.each do |spectrum| # ... do something interesting end # to get an Array of spectrum IDs mzml.spectrum_list # to fetch a specific spectrum, whose ID you already know mzml.spectrum("controllerType=0 controllerNumber=1 scan=1")
You can also get chromatograms
mzml.each_chromatogram mzml.chromatogram("TIC")
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Fork the project. It is hosted @ github.com/delagoya/mzml
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Make your feature addition or bug fix.
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Add tests for it. This is important so I don’t break it in a future version unintentionally.
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Commit, do not mess with rakefile, version, or history. (if you want to have your own version, that is fine but bump version in a commit by itself I can ignore when I pull)
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Send me a pull request. Bonus points for topic branches.
Copyright © 2009 Angel Pizarro. See LICENSE for details.