Thermo MSFileReader is a C++ dynamic-link library (.dll) made available by ThermoFisher Scientific (on https://thermo.flexnetoperations.com/control/thmo/product?plneID=632401) to interact with .raw files generated by their range of tandem mass spectrometers.
Here I make available my Python bindings for the version 3.0SP2 (August 2014) and 3.0SP3 (April 2015), both versions have been tested. 150 / 171 functions have been binded, 21 / 171 have been considered redundant with already binded functions (cf. REDUNDANT flag).
NOTE: The function IsQExactive only works in the version 3.0SP3.
NOTE: The official documentation seems more up-to-date in the 3.0SP2 version than in the 3.0SP3 version...
The bindings are compatible with Python 2.7 and 3.4, they require the comtypes library available on http://www.lfd.uci.edu/~gohlke/pythonlibs/ for Python 2.x and 3.x. The bindings require that you have installed previously the appropriate Thermo MSFileReader version depending of your Python version (32bits or 64bits) so that the .dll is registered to the Windows COM server.
HOW TO get started :
- Install Python 2 or 3
- Install the comtypes library available on http://www.lfd.uci.edu/~gohlke/pythonlibs/ with
pip installcomtype-package.whl` - Install Thermo MSFileReader from https://thermo.flexnetoperations.com/control/thmo/product?plneID=632401 or from https://github.com/frallain/MSFileReader_Python_bindings/tree/master/MSFileReader
The MSfilereader reference guide is in C++, my library make this C++ usable with Python.
Finally, to use the library and extract data from a python script :
import MSFileReader
rawfile = MSFileReader.ThermoRawfile("myfile.raw")
print( 'Version', rawfile.Version() )
print( 'GetFileName', rawfile.GetFileName() )
# see https://github.com/frallain/MSFileReader_Python_bindings/blob/master/MSFileReader.py#L2139L2382 for other functions
rawfile.Close()