Ice rings

Revision as of 15:16, 21 November 2007 by Kay (talk | contribs)
  • Please see Wishlist#Would be nice to have: there's a list of additional (high-) resolution ranges one might want to exclude (in CORRECT).
  • A currently possible way to prevent ice rings from spoiling the IDXREF step is to set "TRUSTED_REGION=0 X" for INIT, where X is calculated such that ice rings are excluded. Using Bragg's law and an approximation, we find that
    X = [math]\displaystyle{ \frac{Wavelength \cdot Distance} {2 \cdot NX \cdot QX} }[/math] should give approx. 4 Å cutoff, which should exclude all ice rings.
    Drawback: after successful indexing, INIT needs to be re-run with "TRUSTED_REGION=0 1.05" or so.
  • Please see Optimization for how to treat remaining ice reflections showing up as "aliens" in CORRECT.LP.