For some reason scala does not output the same log file for me everytime. I
got used to looking at the summary for my scala run, using the Show summary
button in ccp4i after picking view log file.
In most cases I get a detailed summary. For this particular dataset ,
despite not changing any parameters in the GUI I get a very shortened
summary.
Is it that I clicked some button by mistake, that shortens the log-summary.
I am using the latest version of ccp4 6.2.2 and fink installed ccp4 on OSX
Leopard.
I am reproducing the short and long summary here.
Thanks for your help
Hari Jayaram
BAD Case:
Summary data for Project: cy Crystal: P10_2 Dataset: P10_2
Overall InnerShell OuterShell
Low resolution limit 102.06 102.06 2.11
High resolution limit 2.00 6.34 2.00
Rmerge 0.252 0.112 5.247
Rmeas (within I+/I-) 0.269 0.118 6.982
Scala: ** Normal termination **
Times: User: 404.5s System: 8.0s Elapsed: 6:53
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GOOD case:
Summary data for Project: cy Crystal: p10_1 Dataset: p10_1
Overall InnerShell OuterShell
Low resolution limit 102.60 102.60 2.12
High resolution limit 2.01 6.35 2.01
Rmerge 0.164 0.053 3.283
Rmeas (within I+/I-) 0.183 0.058 4.363
Rmeas (all I+ & I-) 0.183 0.058 4.363
Rpim (within I+/I-) 0.080 0.021 2.835
Rpim (all I+ & I-) 0.080 0.021 2.835
Fractional partial bias -0.022 -0.018 -0.072
Total number of observations 835420 73666 4479
Total number unique 196397 9701 3022
Mean((I)/sd(I)) 2.2 4.2 0.2
Completeness 64.3 99.8 6.9
Multiplicity 4.3 7.6 1.5
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