Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions
, , , , and .
Acta Crystallographica Section B 70 (2): 347--359 (April 2014)

A method was developed and implemented for fitting a crystal structure to a powder pattern, even if the lattice parameters deviate strongly. The method is even successful for powder diagrams of very low quality. Applications include an automatic fit starting from predicted structures or isostructural compounds.
  • @fairybasslet

rating distribution
average user rating5.0 out of 5.0 based on 1 review
Please log in to take part in the discussion (add own reviews or comments).