ASYM-VIEW-Menu

PLATON HOMEPAGE

Purpose and Features

Check for resolution in sin(theta) / lambda
Check for completeness as a function of resolution
Check for quality in terms of 'Observed Data'
Check for missing reflection data (in cusps etc.)

ASYM MENU OPTIONS

LEGEND FOR THE ITEMS DISPLAYED

Data are averaged on the basis of the Laue group associated with the given space group (i.e. Friedel related reflections are averaged)
E.g. data for P21 are averaged according to 2/m.
The Unique data set thus obtained is expanded again to fill half a sphere (hemisphere) of data.
A section of the reciprocal lattice is shown in
Fig. 1 - Display of hk6-layer
Observed unique reflections are depicted by a number indicating there I/sigma(I).
Stars indicate reflections with I/sigma(I) .GE. 10.
L indicates reflections with Intensity .LT. the observance criterium (I.e. I .LT. 2 sigma(I)).
Space group extinctions are either shown as void areas or with E.
missing data in the asymmetric reflection unit are shown as ?
Symmetry related reflections are depicted with + (or # for symmetry relatives of missing data).
Legend to the right column numerical data in Fig 1
1. SpaceGr - Spacegroup (determing
2. a - a-axis (Angstrom)
3. b - b-axis
4. c - c-axis
5. alpha - alpha - angle (degrees)
6. beta - beta angle
7. gamma - gamma angle
8. Th(max) - Maximum theta of data set (possibly reset from menu).
9. SigOmit - Current sigma(I) criterium
10. Total - Total number of read reflections within theta(max).
11. Unique - Number of unique reflections within theta(max) (ecluding systematic extinctions).
12. Obsd - number of observed reflection within current sigma(I) and theta(max) range (excluding systematic extinctions).
  Cumulative
13. Layer - current range of layers surveyed
14. SpGrExt - current count of space group extinctions
15. MaxUniq - current count of possible unique reflections (excluding systematic extinctions)
16. Missing - current count of missing unique non-extinction reflections in data set
17. Resol - resolution (sin(theta)/lambda
18. Perc - Completeness (%) up and including this sin(theta)/lambda range.
Notes:
- MaxUniq corresponds to the supplied Th(Max), associated with the maximum theta found in the input dataset.
- Unique corresponds to the number of unique reflections found on input.
- Missing is the difference between MaxUniq and Unique and should in general be zero apart from possibly a few close to the primary beam reflections that could not be measured.