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This project is funded through European Commission COSMOS Grant EC312941
An important aspect is that metabolomics studies might comprise many raw data files, so the conversion from the vendor formats should not involve expensive manual intervention to add information beyond what is already stored in the instrument software. Furthermore, command line converters are easier to incorporate into local data processing pipelines. For bioinformaticians developing either software or databases, it is highly recommended to use existing I/O parsing software and libraries. Several such mzML libraries have been developed for different programming languages and software frameworks, summarised in Table below.
|
Language |
Library/API |
URL |
License |
|---|---|---|---|
|
Java |
jmzML |
Apache license 2.0 |
|
|
jmzreader |
Apache license 2.0 |
||
|
C++ |
OpenMS |
http://open-ms.sourceforge.net/ |
BSD |
|
Proteowizard |
http://proteowizard.sourceforge.net/ |
Apache license 2.0 |
|
|
Python |
pymzML |
http://pymzml.github.io/ |
LGPL v3 |
|
R |
mzR |
http://bioconductor.org/packages/mzR/ https://github.com/sneumann/mzR |
Artistic-2.0 |
|
MatLab |
MSiReader |
http://www4.ncsu.edu/~dcmuddim/msireader.html |
BSD 3-clause |
|
Ruby |
mspire |
MIT |
|
|
Perl |
MzML::Parser (CPAN) |
https://github.com/Leprevost/MzML-Parser http://search.cpan.org/dist/MzML-Parser/ |
Dual: GPL or artistic license |
See also http://www.ms-utils.org/wiki/pmwiki.php/Main/SoftwareList for a growing link of MS related software