Summary report for Directory: diska/00sot036

Report generated Apr 14, 2000; 18:36:49

Unit cell

18430 reflections with 2.91<theta<36.32 degrees were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)7.6375 +/- 0.0002
b (Angstrom)20.3616 +/- 0.0004
c (Angstrom)9.2288 +/- 0.0002
alpha (degrees) 90.000
beta (degrees)91.0027 +/- 0.0008
gamma (degrees) 90.000
Mosaicity (degrees) 0.550

Data collection

Summary

Total number of images collected279
Total exposure time92.7 minutes
Data collection exposure time91.3 minutes
Data collection wall-clock time125.8 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)80

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Used in
scaling
data collections01f97 97.0° omega1.020 secondsYes
data collections02f98 98.0° omega1.020 secondsYes
data collections03f76 76.0° omega1.020 secondsYes

Scaling

Deleted observations

Zero sigma or profile test  10
Overload or incomplete profile 328
Sigma cutoff  91

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections  3882
Number of 'partial' reflections 25278
Total number of integrated reflections 14600
Total number of unique reflections  3886
Data completeness  54.6%
Resolution range7.00-0.60 A
Overall R-merge (square)  0.071


Nonius Collect software