[phenixbb] Scaling of diffraction data
Terwilliger, Thomas C
terwilliger at lanl.gov
Wed Apr 25 13:27:43 PDT 2012
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 at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of jens j birktoft [jens.knold at 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 <mailto:jens.knold at gmail.com> ; Phone: 212-749-5057<tel:212-749-5057>
+++++++++++++++++++++++++++++++++++++++++++++++++++
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