[phenixbb] Combining amplitudes and phases

Terwilliger, Thomas Charles terwilliger at lanl.gov
Wed Aug 24 05:23:42 PDT 2016

?Hi Reza,

Yes, if two crystals of your molecules are isomorphous then it is reasonable to guess that both the phases and the amplitudes for the two crystals are similar.  In such a case, as a first approximation to the structure factors for either crystal, you could take the amplitudes from one and the phases for the other. You could also average phases or amplitudes from the two crystals.  In all these cases you would want to be aware that you are using information from different crystals at this stage in structure determination and therefore that the maps that you would get would have mixed information about the two crystals.

All the best,

Tom T

From: phenixbb-bounces at phenix-online.org <phenixbb-bounces at phenix-online.org> on behalf of Reza Khayat <rkhayat at ccny.cuny.edu>
Sent: Wednesday, August 24, 2016 5:48 AM
To: phenixbb at phenix-online.org
Subject: [phenixbb] Combining amplitudes and phases


Is it possible to combine amplitudes from one dataset with phases from another? Assume that the systems are isomorphous. Thanks.

Best wishes,

Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031

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