Summary report for Directory: diska/00sot039

Report generated Apr 12, 2000; 11:11:11

Unit cell

5559 reflections with 1.00<theta<27.48 degrees were used for unit cell refinement

Symmetry used
in scalepack
p1
a (Angstrom)7.9539 +/- 0.0002
b (Angstrom)9.5523 +/- 0.0003
c (Angstrom)10.6949 +/- 0.0004
alpha (degrees)97.6138 +/- 0.0017
beta (degrees)110.4394 +/- 0.0016
gamma (degrees)104.170 +/- 0.002
Mosaicity (degrees) 0.496

Data collection

Summary

Total number of images collected286
Total exposure time24.8 minutes
Data collection exposure time23.3 minutes
Data collection wall-clock time18.9 hours

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 determinationj01f10 10.0° phi1.05 secondsNo
data collections01f183183.0° phi1.05 secondsYes
data collections02f45 45.0° omega1.05 secondsYes
data collections03f20 20.0° omega1.05 secondsYes
data collections04f20 20.0° omega1.05 secondsYes

Scaling

Deleted observations

Zero sigma or profile test 112
Overload or incomplete profile 100
Sigma cutoff  57
High resolution limit  16

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections  3624
Number of 'partial' reflections  7615
Total number of integrated reflections  5364
Total number of unique reflections  2947
Data completeness  89.6%
Resolution range20.40-0.77 A
Overall R-merge (square)  0.048


Nonius Collect software