Lei
> *Sent:* Saturday, January 10, 2015 7:08 PM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction
> failed
>
>
>
> Hi Eleanor,
>
>
>
> Thanks for the input, I attach the scale log file here.
>
>
>
> On Sat,
Hi Evans,
Thank you very much for the suggestions! I'll post my data on an online
file sharing system from now on.
Xiao
On Tue, Jan 13, 2015 at 5:21 AM, Phil Evans wrote:
> It is hard to tell without having the unmerged data (don't post that to
> the BB), but running the data through Pointless
Hi Randy,
Thank you very much for the advice. I use CCP4 version 6.4.0 on my Mac OS X
10.10.1, after my updating my Mac OS X to 10.10.1 three weeks ago, I did
have a issue to open CCP4, I have to re-install X-Quartz and after that I
can open CCP4 well. I haven't updated CCP4 to 6.5, maybe I should
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Xiao Lei
Sent: Saturday, January 10, 2015 7:08 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed
Hi Eleanor,
Thanks for the input, I attach the scale log file here.
On Sat
It is hard to tell without having the unmerged data (don't post that to the
BB), but running the data through Pointless, Aimless ctruncate (though I had to
fix Aimless) suggests
1. the data are not very good
2. the space group may be C2
3. it may be twinned (or just some spot overlap with the lo
Hi,
Since you posted the whole data set to the BB (a link to a file-sharing website
might have been better), I took a look at it with other tools. Perhaps I’m
running a later version of phenix.xtriage, as in my hands a moderate amount of
anisotropy is found. Similarly, Phaser finds a moderate
Well - I really need to see the output.sca file with the reflection list to
test the problem properly, but this log file does show your reflections at
the highest resolution are very weak, and maybe not useful. Try cutting the
resolute a bit and see what happens.
Eleanor
On 11 January 2015 at 00:0
Certainly a negative eigen value is bad - can you attach the data? There
may be some obvious problem..
Eleanor
On 10 January 2015 at 04:42, Xiao Lei wrote:
> Dear All,
>
> I tried to convert my x-ray diffraction sca data from HKL200 (.sca file)
> to mtz in CCP4 using Scalepack2mtz and it failed,
Dear All,
I tried to convert my x-ray diffraction sca data from HKL200 (.sca file) to
mtz in CCP4 using Scalepack2mtz and it failed, I do not know what should I
supposed to do next to correct the problem, any suggestions are
appreciated. I pasted the message from part of log file below:
ANISOTRO
No - no - failure has nothing to do with the SG - only the point group
matters..
You dont need to reintegrate - integration only requires knowledge of
thecrystal class.
That must be why you get some different results. If you like to send me
the 2 sca files I can check more carefully.
Eleanor
Processing (integration and scaling) only depends on the point group, not the
space group, so it is the same in P222 and P212121. Structure solution is
different so you may need to try different space groups
Phil
On 9 Dec 2014, at 14:36, Uma Ratu wrote:
> Hi, Eleanor:
>
> Thank you for your
Hi, Eleanor:
Thank you for your suggestions.
In HKL, I integrated the data set with P222, and scaled it with P222 and
P212121.
>From pointless, it says the data better fit with P212121.
So I would like to process the data with P212121 as well.
> And you have NCS translation at 0,0,0.5 which mak
I suspect this is an external problem - there is no failure message in the
P212121 case..
Obviously the input data is different for the 2 sets, do you know why? The
integration should be identical.
And you have NCS translation at 0,0,0.5 which makes it hard to be sure if
the SG is P21212 or P21212
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