Hi Reza,
In the simplest case, you can use the reflections editor in the GUI and select phases from one dataset and amplitudes from another. If you want to combine HL coefficients you can use a script to do it (see https://solve.lanl.gov/Resolve/html_resolve_manual/resolve_sample_scripts.ht... ).
All the best,
Tom T
________________________________
From: Reza Khayat
Sent: Wednesday, August 24, 2016 6:28 AM
To: Terwilliger, Thomas Charles; [email protected]
Subject: Re: Combining amplitudes and phases
Hi Tom,
Thanks for the prompt response. This is what I'm trying to do. I'm having difficulty figuring out what Phenix programs to use for doing this.
Best wishes,
Reza
?
Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031
________________________________
From: Terwilliger, Thomas Charles
Sent: Wednesday, August 24, 2016 8:23 AM
To: Reza Khayat; [email protected]
Cc: Terwilliger, Thomas Charles
Subject: Re: Combining amplitudes and phases
?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: [email protected] on behalf of Reza Khayat
Sent: Wednesday, August 24, 2016 5:48 AM
To: [email protected]
Subject: [phenixbb] Combining amplitudes and phases
Hi,
Is it possible to combine amplitudes from one dataset with phases from another? Assume that the systems are isomorphous. Thanks.
Best wishes,
Reza
Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031
