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SpinXML format

SpinXML is a standard spin system structure specification language. It is a plain text, human-readable format based on the ISO standard XML language. SpinXML is the native spin system specification format of Spinach library and SpinGUI graphical user interface.

Acknowledgements

This format is a result of many discussions within the NMR / ESR community. We would like to thank the following people for their valuable insight and contributions:Gareth Charnock, Robin Harris, Paul Hodgkinson, Edmund Howard, Ilya Kuprov, Malcolm Levitt, Ivan Maximov, Niels Chr. Nielsen, Konstantin Pervushin, Stefan Stoll, Vadim Slynko, Zdenek Tosner. 

SpinXML features

  • Text-based and human-readable.
  • Based on ISO standard XML mark-up language.
  • Supports all common spin interactions.
  • Supports all common interaction tensor orientation conventions and anisotropy parameters.
  • Includes a reference frame object and allows multiple nested reference frames with arbitrary relative orientation.
  • Supports isotope mixtures.

SpinXML schema

Download the schema file: spinxml_schema.xsd

SpinXML class schematic