Dear Kay
Just to comment on (e) since you say you don't know why anyone would want
to do this, yet this is exactly what xia2 -3d does :o)
I use AIMLESS to merge data already scaled by XDS CORRECT or XSCALE as a
way to get a report on the merging statistics which includes all of the
AIMLESS
BLEND is mainly applicable to cases with many more than 3 data sets. So I would
say it does notadd anything useful to what already suggested by Matthias.
I have had positive results when scaling and merging several (unmerged)
anisotropic data togetherwith POINTLESS / AIMLESS. The main reason
Dear Graeme,
good that you set this straight.
I consider getting the statistics output from AIMLESS is a perfectly valid
reason for going e), and as long as this is well-tested (which I'd bet in case
of xia2) it's ok. There is one issue I can see: 99% (obviously my guess could
be wrong; just
Dear Kay
I cannot comment on the accuracy or otherwise of your 99%, but every time I
talk about xia2 or write down what the options do, I try to make it clear
that XDS / XSCALE is used for integration scaling then AIMLESS to merge
the data. I have had an interest for a while in scaling the data
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Dear Robert,
the data sets don't seem too anisotropic, and the week reflections in
poorly reflecting direction of dataset 1 that you include by setting the
resolution range to 3.5A may not deteriorate the overall scaling that much.
They may actually be kicked out as outliers and not used for
Hi
It's possible (though Garib has told me you shouldn't do it...) to integrate
using anisotropic limits with Mosflm - it's pretty straightforward. Some users
have told me it really helped.
On 12 Nov 2014, at 21:26, Robert Keenan wrote:
I have three datasets of varying quality collected
Hi,
Swedish radio is currently doing a short series of programmes about
crystallography and I just had the great pleasure of listening to a 73-minute
(!) interview with Eleanor D about Dorothy Hodgkin. It was very informative
and complementary to the biography by Georgina Ferry. It seems a
I just listened to the interview and also recommend it.
Thank you to Derek Logan for suggesting it.
Frances
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Hi all-
I am trying to merge 3 Scalepack .sca files into 1 MTZ file using Aimless
in CCP4i (CCP4 version 6.4.0). However, Aimless fails with the error that
it does not recognize my rhombohedral space group (R32).
#CCP4I TERMINATION STATUS 0 Spgr_descr: No such HM symbol
I'm used to this as in
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