Appendix G: SpinXML infrastructure

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SpinXML class schematic

Spinxml schematic.png

XML schema file

The schema file can be downloaded from http://spindynamics.org/SpinXML.php

Units

Coordinates are in Angstrom, angles in radians. Interactions must be specified in:

  1. ppm for chemical shielding and chemical shift
  2. Bohr magneton units for g-tensors
  3. Hz, kHz, MHz or GHz for all other interactions
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