make mass calibration independent of m/z range
awbirdsall opened this issue · 0 comments
Currently, mass calibration functions are in the form m/z = f(FFT bins)
(i.e., applied directly to bins in the FFT file). This works only if the m/z range is the same for the calibration source and where the calibration is applied. The calibration cannot be applied to an FFT file of arbitrary m/z range that might differ from the original calibration source. (For example, in one case FFT[0] might correspond to 15 m/z whereas in another file FFT[0] might correspond to 20 m/z.)
To fix this, need to rewrite calibration functions (create_cal_poly()
, apply_mz_cal()
) so that they account for the fact that FFT[0] (through FFT[-1]) can differ for different FFT files. Using readmassrange()
will probably be helpful.