| Feature |
CSIDiffMS Lite |
CSIDiffMs |
| MS ChemStation (*.ms) file format support |
Yes |
Yes |
| Comma separated values (*.csv) file format support |
Yes |
Yes |
| CSI-Diff-ms XML (*.xml) file format support |
Yes |
Yes |
| MassLynx ASCII (*.txt) file format support |
Yes |
Yes |
| NetCDF ANDI/MS (*.cdf) file format support |
Yes |
Yes |
| JCAMP-DX (*.dx) file format support |
No |
No |
| TIC visualization with individual scan extraction |
Yes |
Yes |
| Individual mass spectrum visualization |
Yes |
Yes |
| Correlated differential mass spectrum |
Yes |
Yes |
| Ratio of two spectra (Pms) |
Yes |
Yes |
| Difference of two spectra (Dms) |
Yes |
Yes |
| Percentage difference of two spectra (D%ms) |
Yes |
Yes |
| Adnotate and save individual mass spectrum to file |
Yes |
Yes |
| Customize graphics |
Yes |
Yes |
| Save graphics to file |
Yes |
Yes |
| Print graphics |
Yes |
Yes |
| Numerical calculation for differential mass spectrum (Pms, Dms, D%ms) |
Yes |
Yes |
| Numerical calculation for the similarity factor |
Yes |
Yes |
| Export differential mass spectrum as CSV file |
Yes |
Yes |
| Isomer identification probability calculation |
No |
Yes |
| Number of available isomer/mass spectra identification/correlation algorithms |
0 |
4 |
| Export spectra/isomer correlation results as CSV file |
No |
Yes |
| Export spectra similarity results as CSV file |
Yes |
Yes |
| Quantum chemical database |
No |
Yes |
| Quantum chemical database search |
No |
Yes |
| Extend provided quantum chemical database |
No |
Yes |
| Modify quantum chemical database records |
No |
Yes |
| Delete quantum chemical database records |
No |
Yes |
| Mass data import into the quantum chemical database |
No |
Yes |
| Quantum chemical database export |
No |
Yes |
| Customization |
Yes |
Yes |
| Find specific scan(substance or isomer) inside complex experiment data |
No |
Yes |
| Number of FindScan algorithms |
0 |
3 |
