Summary report for Directory: diska/00src130

Report generated May 03, 2000; 07:07:10

Unit cell

90269 reflections with 1.00<theta<27.48 degrees were used for unit cell refinement

Symmetry used
in scalepack
a (Angstrom)9.54 +/- 0.0001
b (Angstrom)13.2477 +/- 0.0002
c (Angstrom)28.5916 +/- 0.0003
alpha (degrees)89.9265 +/- 0.0006
beta (degrees)81.2711 +/- 0.0006
gamma (degrees)89.7374 +/- 0.0005
Mosaicity (degrees) 0.578

Data collection


Total number of images collected600
Total exposure time200.5 minutes
Data collection exposure time198.8 minutes
Data collection wall-clock time272.2 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)90


TypeName# imagesTotal
Per frame
per frame
Used in
cell determinationi01f10 10.0° phi1.010 secondsNo
data collections01f110110.0° omega1.020 secondsYes
data collections02f113113.0° omega1.020 secondsYes
data collections03f53 53.0° omega1.020 secondsYes
data collections04f120120.0° omega1.020 secondsYes
data collections05f109109.0° omega1.020 secondsYes
data collections06f85 85.0° omega1.020 secondsYes


Deleted observations

Zero sigma or profile test  81
Overload or incomplete profile1020
Sigma cutoff 215
High resolution limit  61

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections 14000
Number of 'partial' reflections111633
Total number of integrated reflections 62293
Total number of unique reflections 16349
Data completeness  99.8%
Resolution range20.40-0.77 A
Overall R-merge (square)  0.120

Nonius Collect software