Data Input/Output using CSI-Diff-ms 2.6
The Chemical Structure Identification based on Differential Mass Spectra (CSI-Diff-ms) provides support for various mass spectrometry file formats.
Both complete mass spectrometry experiment data and single spectrum data can be used as input for the CSI-Diff-ms platform.
The following table gives an overview about the CSI-Diff-ms file format and the specific features support.
| Input File Format Type |
Individual mass spectrum |
Collection of mass spectra |
Complete experiment data |
| MS ChemStation (*.ms) |
Yes |
Yes |
Yes |
| Comma separated values (*.csv) |
Yes |
No |
No |
| Diff-ms (*.xml) |
Yes |
No |
No |
| MassLynx ASCII (*.txt) |
Yes |
Yes |
Yes |
| NetCDF ANDI/MS (*.cdf) |
Yes |
Yes |
Yes |
The CSI-Diff-ms platform can perform single mass spectrum data export to the own Diff-ms (eXtensible Markup Language - XML) and various Comma Separated Values (CSV) file types. The spectrum export and documentation features can be used to create reference mass spectra.
The CSI-Diff-ms platform numerical calculation results can be exported to various Comma Separated Values (CSV) file types.
The following graphic gives an overview about the CSI-Diff-ms platform data input/output features.
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