One of the major issue for metabolomics data analysis is that user have to use Window to convert vendor data into open source format like mzML or mzXML. Though msConvert could be run under Linux or Mac, it will not support vendor format. It’s really annoying to set up virtual machine for data format issue. Another software supporting vendor format is Abf Converter, which also only support Windows and their output is for MS-DIAL.
docker pull chambm/pwiz-skyline-i-agree-to-the-vendor-licenses
The usage is quite clear You could use the following code to convert all the files in a folder:
docker run -it --rm -e WINEDEBUG=-all -v /your/data/path/*.RAW:/data chambm/pwiz-skyline-i-agree-to-the-vendor-licenses wine msconvert /data/
There is small problem for Agilent files:
.d format is actually a folder. If you use previous code, you will get Then a
for trick could solve this issue:
for f in $(basename /your/path/*.*) do docker run -it --rm -e WINEDEBUG=-all -v /your/path:/data chambm/pwiz-skyline-i-agree-to-the-vendor-licenses wine msconvert /data/$f done
Then you will see the converted mzML in the same directory of your raw data folder.
There are three vendor formats not supporting by this image: ABI T2D, Bruker FID/YEP and Waters UNIFI.