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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.