- Module was made more universal to extract MS data from any up to MSn level. For MSn, information about parents added as: "precursors": [MS1, MS2, ..., MSn-1]. Further added "parent_scan" number for every parent (coresponding to the MSx level) and the precursor scans.
- Fixed issue with certain custom phrases would interfere with the parsing
- Vendors may add in their own custom tags (e.g.
<userParam>) that may contain values that the parser used so a list of banned phrases have been introduced to prevent this from happening - Replaced hard-coded values for tags such as
ms levelandselected ion m/zwith their MzML MS tag equivalent (e.g.MS:1000571)
- Vendors may add in their own custom tags (e.g.
- Added ability to generate different classes of Chromatograms
- Extracted Ion Chromatograms (EICs)
- Base Peak Chromatograms (BPCs)
- Total Ion Currents (TICs)
- Added ability to display spectra with relative intensities
- Fixed bug when writing out to file if the original
mzmlfile is within a subdirectory
- Added in Spectral Hash (SPLASH) of spectra from the SPLASH API
- Initial Release
- Parse mzML files to obtain spectra for each MS level (up to 4) and dumps them into JSON format