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scala problem
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Dear all,
I am a young crystallographer and I am running scala for the first
time...
I am trying to scale a data processed with denzo (1.12beta).
I defined two batches and I would like to put some resolution limits on
each of them.
First I ran scala like this :
scale:
scala hklin junk2.mtz hklout scaled.mtz << eof-scala
run 1 batch 1 to 55
run 2 batch 101 to 155
title OBP pig complexed with pyrazine
scales bfactor on rotation spacing 5 ! smooth scaling
#scales bfactor off DETECTOR 1 1 rotation spacing 5
cycles 20
intensities partials
sdcorr 1.2 0.02
reject scale 3.
reject merge 3.
resolution 30 1.4
anomalous off
final partials test 0.8 1.2 maxwidth 5
eof-scala
And in order to put the resolution limits, I ran scala like this :
scale:
scala hklin junk2.mtz hklout scaled.mtz << eof-scala
run 1 batch 1 to 55
resolution run 1 low 2.5 high 1.4
run 2 batch 101 to 155
resolution run 2 low 30 high 2.2
title OBP pig complexed with pyrazine
scales bfactor on rotation spacing 5 ! smooth scaling
#scales bfactor off DETECTOR 1 1 rotation spacing 5
cycles 20
intensities partials
sdcorr 1.2 0.02
reject scale 3.
reject merge 3.
anomalous off
final partials test 0.8 1.2 maxwidth 5
eof-scala
And there is no difference in the results...So I would like to know how
to define the resolution limits correctly.
Thanks in advance for your help
Flo
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