Structural Analysis

From MolWiki
Revision as of 19:08, 30 November 2012 by Yury Vishnevskiy (talk | contribs) (Created page with "{{Draft}} Category:GED '''Structural analysis''' is the procedure of molecular structure determination. In GED it is m...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

Structural analysis is the procedure of molecular structure determination. In GED it is most usually based on the least-squares method and the problem is solved by minimizing the functional based on molecular intensity function:
<math>Q = \sum_{k = 1}^N (sM(s)_{m} - sM(s)_{e})^2 \rightarrow min</math>