Summary report for Directory: 00src116

Report generated Mar 16, 2000; 08:33:32

Unit cell

27261 reflections with 2.91<theta<28.28 degrees were used for unit cell refinement

Symmetry used
in scalepack
p1
a (Angstrom)7.4943 +/- 0.0007
b (Angstrom)7.783 +/- 0.0008
c (Angstrom)18.919 +/- 0.002
alpha (degrees)89.973 +/- 0.005
beta (degrees)89.945 +/- 0.004
gamma (degrees)89.969 +/- 0.005
Mosaicity (degrees) 2.532

Data collection

Summary

Total number of images collected338
Total exposure time100.6 minutes
Data collection exposure time98.1 minutes
Data collection wall-clock time148.5 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)65

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Used in
scaling
cell determinationj01f7  7.0° phi1.010 secondsNo
data collections01f74133.2° omega1.818 secondsYes
data collections02f34 61.2° omega1.818 secondsYes
data collections03f77138.6° omega1.818 secondsYes
data collections04f56100.8° omega1.818 secondsYes
data collections05f82147.6° omega1.818 secondsYes

Scaling

Deleted observations

Zero sigma or profile test 306
Overload or incomplete profile 633
Sigma cutoff 173
High resolution limit   6

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections     6
Number of 'partial' reflections 35106
Total number of integrated reflections  8672
Total number of unique reflections  3951
Data completeness  71.2%
Resolution range7.00-0.75 A
Overall R-merge (square)  0.073


Nonius Collect software