Summary report for Directory: diska/00sot030

Report generated Apr 13, 2000; 20:35:21

Unit cell

9155 reflections with 2.91<theta<27.48 degrees were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)7.649 +/- 0.0003
b (Angstrom)8.0285 +/- 0.0004
c (Angstrom)18.5858 +/- 0.001
alpha (degrees) 90.000
beta (degrees)89.9884 +/- 0.0018
gamma (degrees) 90.000
Mosaicity (degrees) 0.701

Data collection

Summary

Total number of images collected178
Total exposure time92.3 minutes
Data collection exposure time82.1 minutes
Data collection wall-clock time104.3 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 collections01f132198.0° phi1.530 secondsYes
data collections02f24 36.0° omega1.530 secondsYes
data collections03f7 10.5° omega1.530 secondsYes

Scaling

Deleted observations

Overload or incomplete profile 144
Sigma cutoff  29
High resolution limit   5

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections  3096
Number of 'partial' reflections 11737
Total number of integrated reflections  7866
Total number of unique reflections  2733
Data completeness  97.3%
Resolution range7.00-0.77 A
Overall R-merge (square)  0.038


Nonius Collect software