EPSRC National Crystallography Service

Data Collection Summary

Summary report for Directory: diska/00src148

Report generated May 03, 2000; 11:36:51

Unit cell

17311 reflections with 2.91<theta<27.48 degrees were used for unit cell refinement

Symmetry used
in scalepack
a (Angstrom)10.6467 +/- 0.0001
b (Angstrom)17.5167 +/- 0.0002
c (Angstrom)16.7151 +/- 0.0002
alpha (degrees) 90.000
beta (degrees)105.0564 +/- 0.0005
gamma (degrees) 90.000
Mosaicity (degrees) 0.360

Data collection


Total number of images collected168
Total exposure time55.3 minutes
Data collection exposure time53.9 minutes
Data collection wall-clock time75.0 minutes

Experimental Conditions

Wavelength (Angstrom)0.71073
High voltage (kV)50
Tube current (mA)80


TypeName# imagesTotal
Per frame
per frame
Used in
data collections01f52104.0° omega2.020 secondsYes
data collections02f32 64.0° omega2.020 secondsYes
data collections03f49 98.0° omega2.020 secondsYes
data collections04f27 54.0° omega2.020 secondsYes


Deleted observations

Zero sigma or profile test   2
Overload or incomplete profile 458
Sigma cutoff 141
High resolution limit2151

Final Data Set

Scale factor range10.00-10.00
Number of 'full' reflections 26578
Number of 'partial' reflections 20167
Total number of integrated reflections 35433
Total number of unique reflections  7120
Data completeness  99.9%
Resolution range7.00-0.77 A
Overall R-merge (square)  0.106

Crystal Information
Collection Temperature 150 K
Crystal Size   x  x  
Crystal Colour
Crystal Shape

N.B. The scaling summary is redundant as outliers are treated during the absorption correction using SORTAV.
The quoted data completeness is for the stated resolution ranges
More more information visit the service web site at:  http://www.soton.ac.u k/~xservice/