Summary report for Directory: diska/00sot042

Report generated Apr 14, 2000; 08:27:58

Unit cell

7229 reflections with 2.91<theta<30.51 degrees were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)7.515 +/- 0.0002
b (Angstrom)30.7365 +/- 0.0008
c (Angstrom)9.3921 +/- 0.0002
alpha (degrees) 90.000
beta (degrees)89.9913 +/- 0.0017
gamma (degrees) 90.000
Mosaicity (degrees) 0.291

Data collection

Summary

Total number of images collected334
Total exposure time200.8 minutes
Data collection exposure time196.7 minutes
Data collection wall-clock time242.4 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)90

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Used in
scaling
data collections01f202181.8° phi0.936 secondsYes
data collections02f61 54.9° omega0.936 secondsYes
data collections03f63 56.7° omega0.936 secondsYes

Scaling

Deleted observations

Zero sigma or profile test 730
Overload or incomplete profile 219
Sigma cutoff  43

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections  8656
Number of 'partial' reflections 12233
Total number of integrated reflections 13178
Total number of unique reflections  5014
Data completeness  74.6%
Resolution range7.00-0.70 A
Overall R-merge (square)  0.074


Nonius Collect software