Summary report for Directory: home/ccd/k00070

Report generated Jun 07, 2000; 14:27:31

Unit cell

7932 reflections with 1.00<theta<25.35 degrees were used for unit cell refinement

Symmetry used
in scalepack
p1
a (Angstrom)8.8434 +/- 0.0002
b (Angstrom)13.2093 +/- 0.0004
c (Angstrom)13.8658 +/- 0.0005
alpha (degrees)90.0014 +/- 0.0017
beta (degrees)90.0072 +/- 0.0018
gamma (degrees)89.999 +/- 0.002
Mosaicity (degrees) 0.398

Data collection

Summary

Total number of images collected183
Total exposure time60.0 minutes
Data collection exposure time58.3 minutes
Data collection wall-clock time73.1 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
cell determinationi01f10 10.0° omega1.010 seconds
data collections01f60120.0° omega2.020 seconds
data collections02f53106.0° omega2.020 seconds
data collections03f60120.0° omega2.020 seconds

Scaling

Deleted observations

Rejected  35
Overload or incomplete profile 187
Sigma cutoff  15
High resolution limit   6

Final Data Set

Scale factor range8.60-10.23
Number of 'full' reflections 10349
Number of 'partial' reflections  9516
Total number of unique reflections  5739
Data completeness  96.8%
Resolution range20.40-0.83 A
Overall R-merge (square)  0.033


Nonius Collect software