Re: [ccp4bb]: MOSFLM, XDS, DENZO - conversion of crystal missetting angles ?

["Manfred W. Baumstark" <maba@ukl.uni-freiburg.de>]

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Harry Powell wrote:

> 
> While there is a limit on the number of images you can use in Mosflm for
> indexing, this number is large enough (it's 10) to provide a sufficient
> sampling of reciprocal space to successfully index most datasets. The
> images don't have to be adjacent to each other.
> 
> I don't know how many images XDS can use to index; my recollection is that
> standalone Denzo uses only one but I think HKL2000 can index on multiple
> images. Perhaps someone can enlighten me?
> 
> Harry

My experience is based on ours dataset of crystals from low density
lipoproteins (LDL). Resolution between 28 and 15A, unit cell: 200,400,400A,
C2. This is certainly an extreme case, but it shows the limits clearly. 

XDS can use your whole dataset for indexing if you like. The point is, that
XDS constructs 3D profiles already in the indexing steps and everything is
done in batch which is a great advantage if you need a lot of images for
indexing. 

You are right, Denzo uses only one image and HKL2000 can index on multiple
images. Several people tried to index our very low resolution data by
HKL2000 and denzo but it did not work. Personally I have no experience with
this programmes.

With mosflm it is possible to index our data, but it is much more laborious
and sometimes 10 images are not enough. In addition mosflm has (had?) a
problem with the intergation of reflections extending over many images. I
did not try the latest version, Andrew mentioned to Kay Diederichs this has
changed in the latest release. 

Manfred