construct project directory

-project directory
     -data
          -Celegans_Jupter_C12_120min_grad.ms2
          -Celegans_Jupter_C12_120min_grad.nort.out
          -libSVMformat.data
     -article
          -FT-ICR, SVM, LibSVM tutorial...
     -script
          -PSM2libSVM.py (written by Victor)

The libSVMformat.data was the output file by using following command.
./PSM2libSVM.py Celegans_Jupter_C12_120min_grad.nort.out Celegans_Jupter_C12_120min_grad.ms2 > libSVMformat.data

0.985749058346 1:24451.96 2:198.0345 3:0.00155077697416 4:2.40490922357e-06
0.108725510543 1:18342.92 2:163.1712 3:0.00166732956911 4:2.77998789204e-06
1.35301110367 1:2792.54 2:500.0 3:0.00143809945378 4:2.06813003897e-06
2.00113352112 1:6217.64 2:500.0 3:0.00151054777749 4:2.28175458809e-06
0.530969709975 1:8401.57 2:451.8174 3:0.00176742084871 4:3.12377645645e-06

Take a look at the output file( only print the first five lines of the result). Five columns on each line represent ppm, total ion current, ion inject time, 1/observed mass to charge, 1/(observed mass to charge)^2, respectively.

So far, extracting features(column2-5) for each PSM has been finished.

The following work is to design SVR from the data (column 2-5) to predict the relative mass deviation, ppm.