Do I need to change my XML data to use keys and orderless comparison?
No. The best way to apply keys is to write an XSLT stylesheet that adds keys and identifies orderless element sets. In this way you can continue to use your data as it is and do not need to modify it. Section 3.6 of “How to compare orderless elements” shows an example XSLT script for automatically adding the necessary deltaxml:ordered and deltaxml:key attributes to XML elements.
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