Re: [ccp4bb] mosflm and APS BM17

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: crystal with precipitation
From: Lisa A Nagy lisanagy {- at -} UAB {- dot -} EDU
Date: 2007-08-22

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From: weikai {- at -} CRYSTAL {- dot -} HARVARD {- dot -} EDU weikai {- at -} CRYSTAL {- dot -} HARVARD {- dot -} EDU
Date: 2007-08-22

Subject: Re: mosflm and APS BM17
From: Jan Abendroth jan {- dot -} abendroth {- at -} GMAIL {- dot -} COM
Date: 2007-08-22

Hi all,
thanks a lot for all the responses!
As anticipated, the solution is rather simple - the origin of the beam:
denzo refines to: x=82.6 y=80.3
mosflm reads from header: x=80.0 y=84.0 - bad indexing etc
mosflm works with: x=82.6 y=80.3
No swapping of x and y between denzo and mosflm in this case.

Cheers
Jan

On 8/22/07, Harry Powell wrote:
> Hi
>
> I'd guess from the input file that the beam centre may be defined in a
> different reference frame to that which Mosflm expects in the image
> header; other possibilities are that the distance, wavelength, or
> something else (!) is wrong. Indexing is critically dependent on having
> the beam centre, distance and wavelength all being pretty close to the
> true values, though some indexing routines allow more latitude than
> others.
>
> My understanding (IMWBW) is that other programs (such as XDS or HKL2000)
> don't use the information in the image headers, and expect the parameters
> to be supplied by the user. With Mosflm, we try to make the user's life
> easier by trusting this information, especially from images collected at
> synchrotron beamlines; sometimes this trust is not warranted, and the user
> has to intervene!
>
> > processing data collected on APS beamline BM17 on a MAR165 detector
> > causes unexpected troubles. Even though the crystals are
> > well-diffracting and the spots are sharp and well-resolved, indexing
> > only works with a certain selection of frames, the refinement the goes
> > totally hairwire. Probalby just a parameter or so set wrong. My input
> > file in the attachment. The last three lines do not make much of a
> > difference. Any ideas?
> > Thanks!
> >
> > Cheers
> > Jan
> >
> > ************************
> > mosflm.in:
> > detector marccd
> > directory ../Images
> > template Image_0###.img
> > image 001
> > nullpix 1
> > separation 0.95 0.95 close
> > !LIMITS XMIN 0 XMAX 165 YMIN 0 YMAX 165 xscan 2048 yscan 2048
> > !SIZE 2048 2048
> > !PIXEL 0.07934
> > ************************
> >
>
> Harry
> --
> Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills
> Road, Cambridge, CB2 2QH
>

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: crystal with precipitation
From: Lisa A Nagy lisanagy {- at -} UAB {- dot -} EDU
Date: 2007-08-22