James,
Though ~15440 is a big number, and a twinning factor of 0.5 is
obtained, should data processing for all sets with randomly 1 out of 2
indexing, followed by reindexing all in the other way, and then
merging all 2X~15440 give a better control of perfect twinning?
Lijun
On Feb 11, 20
Comparing images taken at 0 and 180 gives the impression of a mirror flip
about an axis perpendicular to the rotation axis. This is because Friedel
mates are directly across the origin from each other and the Ewald sphere is
curved. Lets say you have a vertical rotation axis. Choose a spot at phi
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---
pdbset xyzin foo.pdb xyzout foofoo.pdb << eof
PICK N O CA C CB
eof
---
should do it
On Fri, 2011-02-11 at 18:03 -0500, crystallogrphy wrote:
> Hi,
> I am refining a low resolution data (4.7A). I want to cut off all side
> chains from my model because they cannot be seen from the density.
>
Does the diffraction pattern change if you shoot the crystal from phi
= n or n+180 deg (a la inverse-beam geometry)? I was thinking it was
identical, but I am not sure now--is it a mirror image? Maybe
different space groups are different?
JPK
On Fri, Feb 11, 2011 at 10:35 AM, James Holton wrote:
Another potentially useful program, labelit.index, has two features of
interest; first it can accept approximately known unit cell dimensions as
input, allowing the indexer to select the correct basis vectors from the
forest of possibilities. If this suceeds, it will produce the first
lattice. Th
Hi Juergen
Just to correct this - Mosflm can output JPGs, but doesn't read them.
On 11 Feb 2011, at 16:35, Bosch, Juergen wrote:
> As an alternative approach I believe Mosflm can use JPG images, so convert
> your dataset to JPG and remove those spots which belong to the other lattice
> in
The indexing ambiguities do not include anomalous pair confusion because
there is no way to rotate the lattice to make every h,k,l overlap with
-h,-k,-l. I.E. you can't rotate your left hand to superimpose it on
your right. The only way to mix those up is to change the sign of some
detector g
I'd try first Mosflm, a cup of tea and two images. I'll get to the cup in a
minute.
Read two images or three which are 90 degrees apart (three incase you have a
cubic space group).
Then take a sip and start manually removing spots which you believe belong to
the other lattice, then index and se
If you make the images available, maybe I can take a look and try to use
d*TREK. You will need to be selective about the spots used in indexing.
Most programs can add or delete spots manually.
You may wish to make the X-ray beam smaller and try to expose only a small
volume of one of the crystals.
Hi to all,
I have crystals which grow as joint crystals i.e two crystals are joined to
one another. I tried to seperate the two and collect dataset but the
resolution is not good( probably I am harming the crystals during
seperation). Also I collected a dataset with the joined crystals in the loop
That's essentially what I meant by "No" (using "othercell" (CCP4, equivalent to
phenix.explore_metric_symmetry) to check
Phil
On 11 Feb 2011, at 15:30, Miller, Mitchell D. wrote:
> I find the phenix.explore_metric_symmetry utility to be useful
> for cases like this.
>
> phenix.explore_metric_
I find the phenix.explore_metric_symmetry utility to be useful
for cases like this.
phenix.explore_metric_symmetry --unit_cell="50.48 74.14 149.51 90. 94.16 90."
--space_group=p2 \
--other_unit_cell="96.792 74.052 154.271 90. 90.060 90." --other_space_group=p2
It shows that the volume ratio bet
Dear Xiaoqiang,
both HKL2000 and Mosflm allow you to enter the cell and space group
explicitly, so you can check yourself on screen whether the data from crystal
(2) are indexed by the cell from crystal (1) and vice versa.
Tim
On Fri, Feb 11, 2011 at 08:03:52AM -0600, Wang, Xiaoqiang wrote:
> H
No
On 11 Feb 2011, at 14:03, Wang, Xiaoqiang wrote:
> Hi everyone,
>
> We collected several derivative data sets which have different cell
> parameters:
> (1) 50.48074.140 149.51090.00094.16090.000 p2
> (2) 96.79274.052 154.27190.00090.06090.000 p2
> For one
Hi everyone,
We collected several derivative data sets which have different cell
parameters:
(1) 50.48074.140 149.51090.00094.16090.000 p2
(2) 96.79274.052 154.27190.00090.06090.000 p2
For one of data sets, HKL2000 and Mosflm gave (1) and (2) as autoindex
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