Summary report for Directory: home/alank/data/reg0606

Report generated Jun 21, 2006; 11:27:00

Unit cell

9200 reflections with 0.41°<theta<25.03° (resolution between 49.66A and 0.84A) were used for unit cell refinement

Symmetry used
in scalepack
p1
a (Angstrom)11.5255 +/- 0.0009
b (Angstrom)15.1738 +/- 0.0012
c (Angstrom)17.7948 +/- 0.0012
alpha (°)93.900 +/- 0.005
beta (°)98.116 +/- 0.005
gamma (°)95.012 +/- 0.004
Volume (A**3)3058.9 +/- 0.4
Mosaicity (°)1.750 +/- 0.002

Data collection

Summary

Total number of images collected1218
Total exposure time16.3 hours
Data collection exposure time16.2 hours
Data collection wall-clock time18.1 hours

Experimental Conditions

Wavelength0.71073 A
Cryostat setting123.00K
Generator setting55kV 32mA

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Detector
distance
Used in
scaling
cell determinationi01f10 10.0° omega1.000°40 seconds40.00 mmNo
data collections01f605363.0° phi0.600°48 seconds39.80 mmYes
data collections02f64 38.4° omega0.600°48 seconds39.80 mmYes
data collections03f64 38.4° omega0.600°48 seconds39.80 mmYes
data collections04f97 58.2° omega0.600°48 seconds39.80 mmYes
data collections05f97 58.2° omega0.600°48 seconds39.80 mmYes
data collections06f134 80.4° omega0.600°48 seconds39.80 mmYes
data collections07f147 88.2° omega0.600°48 seconds39.80 mmYes

Scalepack Scaling

Deleted observations

Rejected 235
Zero sigma or profile test 120
Overload or incomplete profile2774
Sigma cutoff 121
High resolution limit   5

Final Data Set

Scale factor range8.97-18.29
Number of 'full' reflections     0
Number of 'partial' reflections 42332
Total number of integrated reflections 32623
Total number of unique reflections 10544
Data completeness  96.2%
Resolution range49.66-0.84 A
Theta range0.41°-25.03°
Average Intensity   10.3
Average Sigma(I)    2.1
Overall R-merge (linear)  0.163


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