Summary report for Directory: 00sot037

Report generated Mar 24, 2000; 09:18:51

Unit cell

9801 reflections with 2.91<theta<32.58 degrees were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)8.9541 +/- 0.0002
b (Angstrom)7.1843 +/- 0.0002
c (Angstrom)19.1662 +/- 0.0006
alpha (degrees) 90.000
beta (degrees)98.1624 +/- 0.0009
gamma (degrees) 90.000
Mosaicity (degrees) 0.400

Data collection

Summary

Total number of images collected439
Total exposure time548.4 minutes
Data collection exposure time540.3 minutes
Data collection wall-clock time10.7 hours

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 collections01f363181.5° phi0.575 secondsYes
data collections02f68 34.0° omega0.575 secondsYes

Scaling

Deleted observations

Zero sigma or profile test 205
Overload or incomplete profile 177
Sigma cutoff  40

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections   881
Number of 'partial' reflections 14143
Total number of integrated reflections  5958
Total number of unique reflections  3008
Data completeness  62.9%
Resolution range7.00-0.66 A
Overall R-merge (square)  0.070


Nonius Collect software