Support for MZML spectra files with the new version of pymzml (2.0) mentioned in #32
Further tests are required to make sure results from MZML and RAW are similar. The program does not give an error but it might not be completely right either, as seen from a test set with the pair of MZML and RAW files from the CPTAC 6 Study (20080311_CPTAC6_07_6A005) here
I am particularly suspicious about moFF not yielding intensities (-1) for most spectra in the RAW file (421 vs 1451) while it did return an intensity for most spectra in the MZML file (1839 vs 33). Since both files come from the same experiment, they both have 1872 spectra (sanity check).
Support for MZML spectra files with the new version of pymzml (2.0) mentioned in #32
Further tests are required to make sure results from MZML and RAW are similar. The program does not give an error but it might not be completely right either, as seen from a test set with the pair of MZML and RAW files from the CPTAC 6 Study (20080311_CPTAC6_07_6A005) here
I am particularly suspicious about moFF not yielding intensities (-1) for most spectra in the RAW file (421 vs 1451) while it did return an intensity for most spectra in the MZML file (1839 vs 33). Since both files come from the same experiment, they both have 1872 spectra (sanity check).