Summary report for Directory: xray2/cowley/cmccd35

Report generated May 25, 2000; 11:20:09

Unit cell

20137 reflections with 2.91<theta<27.48 degrees were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)15.7748 +/- 0.0005
b (Angstrom)11.9622 +/- 0.0004
c (Angstrom)15.9858 +/- 0.0006
alpha (degrees) 90.000
beta (degrees)117.444 +/- 0.0018
gamma (degrees) 90.000
Mosaicity (degrees) 0.593

Data collection

Summary

Total number of images collected183
Total exposure time119.3 minutes
Data collection exposure time115.9 minutes
Data collection wall-clock time131.8 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)30

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Used in
scaling
cell determinationi01f10 10.0° phi1.020 secondsNo
data collections01f54108.0° omega2.040 secondsYes
data collections02f24 48.0° omega2.040 secondsYes
data collections03f52104.0° omega2.040 secondsYes
data collections04f27 54.0° omega2.040 secondsYes
data collections05f16 32.0° omega2.040 secondsYes

Scaling

Deleted observations

Zero sigma or profile test   1
Overload or incomplete profile 393
Sigma cutoff 104
High resolution limit   5

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections 14049
Number of 'partial' reflections 29512
Total number of integrated reflections 27461
Total number of unique reflections  6388
Data completeness  99.0%
Resolution range7.00-0.77 A
Overall R-merge (square)  0.050


Nonius Collect software