CC1/2

From XDSwiki
Revision as of 06:40, 5 October 2012 by Kay (talk | contribs) (Created page with "CORRECT.LP and XSCALE.LP do not explicitly state the ''number of reflection pairs'' that were used to calculated CC1/2.. However, the number can be calculated from the number...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigationJump to search

CORRECT.LP and XSCALE.LP do not explicitly state the number of reflection pairs that were used to calculated CC1/2..

However, the number can be calculated from the numbers available, for each resolution shell: there is the NUMBER OF UNIQUE REFLECTIONS (X), the NUMBER OF OBSERVED REFLECTIONS (Y), and the number of COMPARED reflections (Z) - the latter number is the number of observations that were used to calculate CC1/2 and the R-values.

The number of reflections pairs can therefore be obtained as follows: Y-Z gives the number of unique reflections that have a single observation. The remaining (X-Y+Z) unique reflections have multiple observations, i.e. there were (X-Y+Z) reflection pairs that went into CC1/2.