Content:
These notes are for SHARP/autoSHARP tutorials held at the RapiData 2011 workshop at Brookhaven/NSLS.
Some example data is available in the data-read-only directories (see details here). The data was processed using autoPROC with the following command (after copying the images for the 3_4 dataset into a new directory):
% process -d 01 | tee 01.lis
giving dataset
/img10/data1/pxuser/RDtutorials/RDplay/sharp/autoPROC_c3_x29_01_3_4_scala.sca
with the following stats:
Summary data for Project: Test Crystal: A Dataset: 0.97920 Overall InnerShell OuterShell Low resolution limit 92.939 92.939 2.365 High resolution limit 2.357 10.933 2.357 Rmerge 0.097 0.071 0.627 Ranom 0.078 0.043 0.569 Rmeas (within I+/I-) 0.090 0.050 0.660 Rmeas (all I+ & I-) 0.104 0.076 0.672 Rpim (within I+/I-) 0.046 0.026 0.334 Rpim (all I+ & I-) 0.038 0.028 0.243 Total number of observations 340376 3271 3381 Total number unique 45428 471 445 Mean(I)/sd(I) 15.9 32.3 3.1 Completeness 100.0 97.3 99.8 Multiplicity 7.5 6.9 7.6 Anomalous completeness 99.9 97.6 99.8 Anomalous multiplicity 3.8 3.7 3.8
The data was processed using autoPROC with the following command (after copying the images for the RS23_x25/3 dataset into a new directory):
% process -d 01 dist=500 | tee 01.lis
(the distance currently needs to be set explicitly, since it is expected to be in m in the header, whereas those images contain the distance in mm). This results in a dataset
/img10/data1/pxuser/RDtutorials/RDplay/sharp/autoPROC_RS23_x25_02_scala.sca
with the following stats:
Summary data for Project: Test Crystal: A Dataset: 1.00000 Overall InnerShell OuterShell Low resolution limit 115.581 115.581 2.347 High resolution limit 2.339 10.854 2.339 Rmerge 0.050 0.030 0.488 Ranom 0.043 0.022 0.442 Rmeas (within I+/I-) 0.058 0.029 0.595 Rmeas (all I+ & I-) 0.058 0.036 0.587 Rpim (within I+/I-) 0.039 0.019 0.395 Rpim (all I+ & I-) 0.030 0.019 0.320 Total number of observations 275735 2769 1950 Total number unique 77286 799 676 Mean(I)/sd(I) 16.6 36.8 2.0 Completeness 98.7 95.6 87.7 Multiplicity 3.6 3.5 2.9 Anomalous completeness 89.3 85.4 68.0 Anomalous multiplicity 1.9 1.9 1.7