Dear all,
The following paper describes 'element specific maps', calculated by collecting data immediately above and below an absorption edge.
http://journals.iucr.org/d/issues/2005/05/00/he5321/index.html
I have used this technique, and it works very well. If anyone is interested I have a set of scripts to take raw mosflm data, scale it and calculate these maps.
best wishes
James
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Dr. James W. Murray
David Phillips Research Fellow
Division of Molecular Biosciences
Imperial College, LONDON
Tel: +44 (0)20 759 48895
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From: CCP4 bulletin board [[log in to unmask]] on behalf of Jacob Keller [[log in to unmask]]
Sent: Wednesday, July 06, 2011 5:46 PM
To: [log in to unmask]
Subject: [ccp4bb] Map Using Both Bijvoet and Dispersive Differences with Model Phases
Dear Crystallographers,
it seems to me that for clearly identifying/characterising anomalous
scatterers for a solved structure, one could make a map using two
datasets: one at the f" peak, one low energy remote. One would then
use the signal both from the Bijvoet differences in the peak dataset
plus the differences between the peak and low-energy datasets, which I
think I have seen called "dispersive" differences. I guess this would
be like a MAD map, but using pre-existing model phases--is there such
an animal in the software, or would it even be helpful?
Jacob Keller
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
cel: 773.608.9185
email: [log in to unmask]
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