Sorry for the non-CCP4 question.
I am confused about the sigma cutoff used by HKL2000 for scaling. I
scaled a data set to 3.0 A resolution. I collected a complete dataset
to 2.8A, but the I/sigma is about 1.0 at 3.0 A. The scaling logfile in
HKL2000 shows 100% completeness in the highest resolution shell, but
about 50% of the reflections are below I/sigma =0 in the highest
resolution shell. I am guessing that these negative reflections are
not being written out, because the output file from HKL200 does not
have 100% completeness anymore. I would like to include these negative
reflections. Is there a setting in HKL2000 that I can change or do I
need to switch to a different program.
Ursula
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Ursula Schulze-Gahmen, Ph.D.
Assistant Researcher
UC Berkeley, QB3
356 Stanley Hall #3220
Berkeley, CA 94720-3220
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