file" option.
Jim
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Tim Gruene
[t...@shelx.uni-ac.gwdg.de]
Sent: Sunday, July 07, 2013 11:43 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] HKL2000 sigma cutoff
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Dear Ursula,
in y
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Dear Ursula,
in your first email you wrote that you were confused by [...] HKL2000
for scaling, and in this email you wrote that your fix is to scale the
data with scalepack. In my understanding scalepack is part of HKL2000
- - would you mind explaini
I found a fix, but not an explanation. I scaled the same data with
scalepack and had no problem with loosing reflections. I am not sure what
happened in HKL2000.
Ursula
On Fri, Jul 5, 2013 at 12:38 PM, Phil Jeffrey wrote:
> Ursula,
>
> I/sigI of -3 as I recall.
>
> Are you sure that the downstre
Well, the output.sca file contains only 64000 lines ( reflections)
while the logfile lists ~ 73000 reflections, corresponding to about
100% completeness. So I don't understand why only 64000 are written
out.
The sigma cutoff was just a guess, but may not be the reason.
Ursula
On 7/5/13, Phil Jeff
Ursula,
I/sigI of -3 as I recall.
Are you sure that the downstream programs you are using aren't the ones
applying the cutoff ? Scalepack is, in general, perfectly happy to
write negative intensities to output.sca and certainly is doing so as of
HKL3000. Perhaps you need to use the TRUNCATE
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 resolutio
