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?).

Morten

On 25 April 2012 21:27, Terwilliger, Thomas C <terwilliger@lanl.gov> 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: phenixbb-bounces@phenix-online.org [phenixbb-bounces@phenix-online.org] on behalf of jens j birktoft [jens.knold@gmail.com]
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