Re: [phenixbb] Scaling of diffraction data

2 May 2012

      Hi Jens,

There's a beta version of a program called BLEND doing the rounds that'll
do euclidian hierarchy clustering for you and scale the data I believe.
That's what you want because you don't want to scale data that isn't
sufficiently isomorphous. Try asking on CCP4bb (sorry phenix). Two of the
talks at the CCP4 study weekend 2012 highlighted euclidian clustering (one
was Wayne Hendrickson and forget who the other one was... maybe it was the
XFEL talk?).

Med venlig hilsen
Morten

On 25 April 2012 21:27, Terwilliger, Thomas C  wrote:
...
Hi Jens,
Not exactly..but you can put in your native and a "derivative" in an MIR
script and it will scale the derivative to your "native" and write out
mir_fbar.mtz in the TEMP0/ directory (you can just stop the job as soon as
it has done scaling).  This will apply solve local scaling.
All the best
Tom T
autosol {
  quick = True
  seq_file = seq.dat
  native {
    data = native.sca
  }
  deriv {
    data = pt.sca
    lambda = 1.4
    atom_type = Pt
  }
  deriv {
    data = ki.sca
    lambda = 1.5
    atom_type = I
  }
}
------------------------------
*From:* [email protected] [
[email protected]] on behalf of jens j birktoft [
[email protected]]
*Sent:* Wednesday, April 25, 2012 9:20 AM
*To:* PHENIX user mailing list
*Subject:* Re: [phenixbb] Scaling of diffraction data
Hi Everybody,
Is there a protocol for re-scaling several sets of diffraction data
against a common reference set, either native or based on a Fcalc set
computed from a common input model.  The are from a number of
derivatives, are all isomorphus, and are anomalous data .  We want to
compare the relative peak heights in Fo-Fc and Anom. difference maps
Cheers
Jens
+++++++++++++++++++++++++++++++++++++++++++++++++++
Jens J. Birktoft
e-mail:  birktoft @ nyu.edu  ; Phone: 212-749-5057
+++++++++++++++++++++++++++++++++++++++++++++++++++
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-- 
Morten K Grøftehauge, PhD
Pohl Group
Durham University

Re: [phenixbb] Scaling of diffraction data

Morten Groftehauge